SCHEMBL4340485

SCHEMBL4340485

C(=Cc1ccccc1)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.42
RAB9A P51151 2/20 0.41
MTOR P42345 1/20 0.41
GRM7 Q14831 1/20 0.41
CYP1A2 P05177 2/20 0.41
NPC1 O15118 1/20 0.41
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
NFE2L2 Q16236 1/20 0.37
CYP19A1 P11511 1/20 0.37
MAOA P21397 1/20 0.37
TRPA1 O75762 1/20 0.37
ALOX5 P09917 1/20 0.37
MAPK1 P28482 1/20 0.37
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36

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
SCHEMBL27631395 0.76 MTOR (0.43) RAB9AMTORGRM7CYP3A4ALOX15
SCHEMBL11034119 0.76 MAOB (0.44) MAOBRAB9ANPC1TDP1SMN1; SMN2
SCHEMBL27335145 0.75 ALDH1A1 (0.44) NPC1TSHRTDP1ALDH1A1LMNA
SCHEMBL7514017 0.72 NPC1 (0.44) MAOBRAB9ANPC1CYP3A4TDP1
SCHEMBL7514022 0.72 NPC1 (0.44) MAOBRAB9ANPC1CYP3A4TDP1
SCHEMBL264894 0.71 MAOB (0.55) MAOBRAB9ACYP1A2NPC1TSHR
SCHEMBL264895 0.71 MAOB (0.55) MAOBRAB9ACYP1A2NPC1TSHR
SCHEMBL3848021 0.70 CYP1A2 (0.55) MAOBCYP1A2TDP1ALDH1A1LMNA
SCHEMBL11878598 0.70 CYP1A2 (0.55) MAOBCYP1A2TDP1ALDH1A1LMNA
SCHEMBL2074728 0.70 EPHX1 (0.48) RAB9AMTORGRM7CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0758250-A1 TEXAPHYRIN SOLID-SUPPORTS AND DEVICES THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1997-02-19 EP claimed
US-5594136-A USEFUL IN THE SEPARATION OF NEUTRAL AND ANIONIC SPECIES, PHOSPHATE ESTER HYDROLYSIS, MAGNETIC RESONANCE IMAGING AND PHOTODYNAMIC THERAPY PHARMACYCLICS, INC. (US) 1997-01-14 US claimed
WO-1995029702-A1 TEXAPHYRIN SOLID-SUPPORTS AND DEVICES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-11-09 WO claimed
JP-59186947-A None JP disclosed
CN-103384707-B The concentrated antiseptic composition of the stable water-based of dehydroacetic acid (DHA) (DHA) and methylisothiazolinone (MIT) ISP INVESTMENTS INC. (US) 2015-12-09 CN disclosed
CN-102686565-B Hepatitis c virus inhibitors BRISTOL-MYERS SQUIBB CO. (CH) 2015-09-30 CN disclosed
CN-102741242-B Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2015-07-01 CN disclosed
CN-104302649-A Pyrazolo[1,5-a]pyrimidine-based compounds, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS INC 2015-01-21 CN disclosed
CN-103384707-A A stable and aqueous concentrated preservative composition of dehydroacetic acid (DHA) and methylisothiazolinone (MIT) ISP INVESTMENTS INC 2013-11-06 CN disclosed
CN-103333162-A Viral polymerase inhibitors BOEHRINGER INGELHEIM INT 2013-10-02 CN disclosed
CN-103319464-A Viral polymerase inhibitors BOEHRINGER INGELHEIM INT 2013-09-25 CN disclosed
CN-1922174-A Viral polymerase inhibitors BOEHRINGER INGELHEIM INT (DE) 2007-02-28 CN disclosed
WO-2005067665-A2 ACTIVATABLE RIBOZYMAL PURIFICATION CONSTRUCTS AND METHODS OF USE UNIVERSITY OF COLORADO (US) 2005-07-28 WO disclosed
WO-2005037228-A2 HALOGEN PHOSPHONATE MONOESTERS INTEGRIGEN, INC. (US) 2005-04-28 WO disclosed
EP-0758250-A1 TEXAPHYRIN SOLID-SUPPORTS AND DEVICES THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1997-02-19 EP disclosed
US-5594136-A USEFUL IN THE SEPARATION OF NEUTRAL AND ANIONIC SPECIES, PHOSPHATE ESTER HYDROLYSIS, MAGNETIC RESONANCE IMAGING AND PHOTODYNAMIC THERAPY PHARMACYCLICS, INC. (US) 1997-01-14 US disclosed
WO-1995029702-A1 TEXAPHYRIN SOLID-SUPPORTS AND DEVICES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-11-09 WO disclosed
US-4487718-A FOR HEMOSTATIC DISORDERS AND THROMBOSIS KOWA COMPANY, LTD. (JP) 1984-12-11 US disclosed
JP-S59186947-A NOVEL PEPTIDE KOWA CO 1984-10-23 JP disclosed
EP-0121995-A2 Peptides KOWA COMPANY, LTD. (JP) 1984-10-17 EP disclosed