SCHEMBL82798

SCHEMBL82798

CCCCCc1cccn1CCCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.43
TBXAS1 P24557 1/20 0.41
TLR8 Q9NR97 6/20 0.41
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
HTT P42858 5/20 0.39
LMNA P02545 3/20 0.39
APOBEC3A P31941 2/20 0.39
APOBEC3G Q9HC16 2/20 0.39
ALDH1A1 P00352 2/20 0.39
PABPC1 P11940 1/20 0.39
EEF2K O00418 2/20 0.39
EEF2 P13639 2/20 0.39
MEN1 O00255 1/20 0.39
PLK4 O00444 1/20 0.39
JAK2 O60674 1/20 0.39
EGFR P00533 1/20 0.39
TYK2 P29597 1/20 0.39
FLT3 P36888 1/20 0.39
BLM P54132 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18840270 0.98 CYP2D6 (0.46) CYP2D6TBXAS1TLR8NPC1RAB9A
Hydrochloric Acid SCHEMBL30212798 0.94 TLR8 (0.42) CYP2D6TBXAS1TLR8NPC1RAB9A
Hydrochloric Acid SCHEMBL30213064 0.93 CYP2D6 (0.41) CYP2D6TBXAS1TLR8NPC1RAB9A
Hydrochloric Acid SCHEMBL30213000 0.93 CYP2D6 (0.41) CYP2D6TBXAS1TLR8NPC1RAB9A
Fluoride SCHEMBL30330580 0.93 CYP2D6 (0.41) CYP2D6TBXAS1TLR8NPC1RAB9A
Hydrochloric Acid SCHEMBL30212630 0.93 CYP2D6 (0.41) CYP2D6TBXAS1TLR8NPC1RAB9A
Hydrochloric Acid SCHEMBL30212797 0.93 CYP2D6 (0.41) CYP2D6TBXAS1TLR8NPC1RAB9A
Hydrochloric Acid SCHEMBL30212741 0.93 CYP2D6 (0.41) CYP2D6TBXAS1TLR8NPC1RAB9A
Fluoride SCHEMBL30330927 0.93 CYP2D6 (0.41) CYP2D6TBXAS1TLR8NPC1RAB9A
Hydrochloric Acid SCHEMBL30212651 0.93 CYP2D6 (0.41) CYP2D6TBXAS1TLR8NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 139 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0487870-B1 Insecticidal and acaricidal diarylpyrrolecarbonitrile and diarylnitropyrrole compounds AMERICAN CYANAMID CO (US) 1996-12-18 EP claimed
US-5233052-A Insecticidal and acaricidal diarylpyrrolecarbonitrile and diarylnitropyrrole compounds AMERICAN CYANAMID COMPANY (US) 1993-08-03 US claimed
EP-0487870-A2 Insecticidal and acaricidal diarylpyrrolecarbonitrile and diarylnitropyrrole compounds AMERICAN CYANAMID COMPANY (US) 1992-06-03 EP claimed
EP-0146411-B1 PHOTOSOLUBILISABLE COMPOSITIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-07-31 EP claimed
US-4708925-A PRINTING PLATES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1987-11-24 US claimed
EP-0146411-A2 Photosolubilisable compositions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-06-26 EP claimed
EP-2277124-B1 MEANS FOR TREATING MYOSIN-RELATED DISEASES HANNOVER MED HOCHSCHULE (DE) 2016-11-09 EP disclosed
EP-1739485-B1 RESIST COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2016-08-31 EP disclosed
EP-2581451-B1 Compounds for inhibiting mammalian s-nitrosoglutathione reductase UNIV INDIANA RES & TECH CORP (US) 2016-03-09 EP disclosed
EP-2614050-B1 1,5-DIARYL-2-ALKYLPYRROLE-3-SUBSTITUTED NITRO ESTERS, SELECTIVE COX-2 INHIBITORS AND NITRIC OXIDE DONORS Rottapharm Biotech Srl (IT) 2016-01-20 EP disclosed
US-9198909-B1 Materials and methods for inhibiting mamalian S-nitrosoglutathione reductase INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-12-01 US disclosed
US-9162979-B2 1,5-Diary1-2-alkylpyrrole-3-substituted nitro esters, selective COX-2 inhibitors and nitric oxide donors ROTTAPHARM BIOTECH S.R.L. (IT) 2015-10-20 US disclosed
EP-2059504-B1 3-SUBSTITUTED-1,5-DIARLY-2-ALKYL-PYRROLES HIGHLY SELECTIVE AND ORALLY EFFECTIVE COX-2 INHIBITORS Rottapharm Biotech Srl (IT) 2015-09-09 EP disclosed
US-4652582-A ANALGESICS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-03-24 US disclosed
EP-0146411-A2 Photosolubilisable compositions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-06-26 EP disclosed
EP-0034798-B1 ANTIINFLAMMATORY 4,5-DIARYL-2-(SUBSTITUTED-THIO)PYRROLES AND THEIR CORRESPONDING SULFOXIDES AND SULFONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-05-22 EP disclosed
EP-0005156-B1 4,5-DIARYL-2-(SUBSTITUTED-THIO)-PYRROLES AND THEIR CORRESPONDING SULFOXIDES AND SULFONES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-09-22 EP disclosed
EP-0034798-A2 Antiinflammatory 4,5-diaryl-2-(substituted-thio)pyrroles and their corresponding sulfoxides and sulfones E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-09-02 EP disclosed
US-4267184-A USEFUL FOR TREATING ARTHRITIS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-05-12 US disclosed
EP-0005156-A1 4,5-diaryl-2-(substituted-thio)-pyrroles and their corresponding sulfoxides and sulfones, process for their preparation and pharmaceutical compositions containing them E.I. DU PONT DE NEMOURS AND COMPANY (US) 1979-11-14 EP disclosed