SCHEMBL290125

SCHEMBL290125

COC(=O)CNC(=O)c1cccnc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.69
KMT2A Q03164 7/20 0.65
MEN1 O00255 6/20 0.65
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
ALDH1A1 P00352 1/20 0.58
RAB9A P51151 2/20 0.57
NPC1 O15118 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
USP2 O75604 1/20 0.54
MAPK1 P28482 1/20 0.54
TSHR P16473 1/20 0.54
CYP2C9 P11712 1/20 0.53
ALOX15 P16050 1/20 0.53
CYP2C19 P33261 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL29921846 0.89 RAB9A (0.61) THRBKMT2AMEN1CYP3A4ALDH1A1
SCHEMBL9220330 0.89 THRB (0.71) THRBKMT2AMEN1CYP1A2CYP3A4
SCHEMBL714353 0.87 THRB (0.63) THRBKMT2AMEN1CYP1A2CYP3A4
SCHEMBL3864600 0.85 THRB (0.75) THRBKMT2AMEN1CYP1A2CYP3A4
SCHEMBL17296939 0.85 ALDH1A1 (0.55) THRBKMT2AMEN1CYP1A2CYP3A4
SCHEMBL8403704 0.84 THRB (0.73) THRBKMT2AMEN1CYP1A2CYP3A4
SCHEMBL13543214 0.83 THRB (0.67) THRBKMT2AMEN1CYP1A2CYP3A4
SCHEMBL7892909 0.83 KMT2A (0.67) THRBKMT2AMEN1CYP1A2CYP3A4
SCHEMBL2227019 0.82 KMT2A (0.65) THRBKMT2AMEN1CYP1A2CYP3A4
SCHEMBL25365692 0.82 MMP13 (0.58) KMT2ACYP3A4ALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614826-B1 Process for preparation of thiazole derivatives DOW AGROSCIENCES LLC (US) 2017-03-01 EP disclosed
EP-2614826-B1 Process for preparation of thiazole derivatives DOW AGROSCIENCES LLC (US) 2017-03-01 EP disclosed
US-9357780-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2016-06-07 US disclosed
US-9357780-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2016-06-07 US disclosed
US-9357780-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2016-06-07 US disclosed
EP-2427191-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2016-03-16 EP disclosed
EP-2427191-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2016-03-16 EP disclosed
EP-2614825-B1 Process for the preparation of thiazole derivatives DOW AGROSCIENCES LLC (US) 2016-03-16 EP disclosed
EP-2614825-B1 Process for the preparation of thiazole derivatives DOW AGROSCIENCES LLC (US) 2016-03-16 EP disclosed
EP-2604267-B1 Process for the preparation of thiazole derivatives DOW AGROSCIENCES LLC (US) 2016-02-03 EP disclosed
WO-2010129497-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2010-11-11 WO disclosed
US-RE36374-E 1,2,3-triazole and tetrazole substituted piperidine or tetrahydropyridine compounds useful as acetylcholine agonists H. LUNDBECK, A/S (DK) 1999-11-02 US disclosed
US-5916906-A TREATMENT OF NEURODEGENERATIVE DISORDERS, VIRAL INFECTIONS, AUTOIMMUNE DISEASES SHASKAN EDWARD G (US) 1999-06-29 US disclosed
EP-0814812-A1 COMPOSITIONS COMPRISING NICOTYNYLALANINE AND AN INHIBITOR OF GLYCINE CONJUGATION OR VITAMIN B6 Shaskan, Edward G. (US) 1998-01-07 EP disclosed
WO-1996028167-A1 COMPOSITIONS COMPRISING NICOTYNYLALANINE AND AN INHIBITOR OF GLYCINE CONJUGATION OR VITAMIN B6 SHASKAN EDWARD G (US) 1996-09-19 WO disclosed
EP-0296721-B1 HETEROCYCLIC COMPOUNDS H. LUNDBECK A/S (DK) 1993-06-23 EP disclosed
US-4925858-A NERVOUS SYSTEM DISORDERS, ALZHEIMER*S DISEASE H. LUNDBECK A/S (DK) 1990-05-15 US disclosed
US-4866077-A TREATMENT OF NERVOUS SYSTEM DISORDERS SUCH AS ALZHEIMER*S DISEASE H. LUNDBECK A/S (DK) 1989-09-12 US disclosed
EP-0296721-A2 Heterocyclic compounds H. LUNDBECK A/S (DK) 1988-12-28 EP disclosed
US-3770753-A BETA-PYRIDYL CARBINOL NICOTINOYL GLYCINATE SOC D ETUDES PROD CHIMIQUE 1973-11-06 US disclosed