SCHEMBL10495641

SCHEMBL10495641

Nc1ccc(/C=C/c2ccncn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.48
CYP19A1 P11511 4/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
GRM4 Q14833 2/20 0.45
MAPT P10636 5/20 0.44
CASP3 P42574 1/20 0.44
ATM Q13315 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
HSP90AA1 P07900 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
GFER P55789 1/20 0.42

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
SCHEMBL10495644 1.00 APP (0.48) APPCYP19A1MAOAMAOBKMT2A
SCHEMBL27606199 0.81 ALDH1A1 (0.42) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL9605432 0.81 NFE2L2 (0.45) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL30299480 0.81 KDM4E (0.57) CYP19A1KMT2AMEN1KDM4EALDH1A1
SCHEMBL27588373 0.81 NFE2L2 (0.45) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL6333011 0.80 MEN1 (0.64) MAOBKMT2AMEN1KDM4EALDH1A1
SCHEMBL6333009 0.80 MEN1 (0.64) MAOBKMT2AMEN1KDM4EALDH1A1
SCHEMBL1099648 0.79 MAPT (0.61) APPCYP19A1MAOAMAOBKMT2A
SCHEMBL1099649 0.79 MAPT (0.61) APPCYP19A1MAOAMAOBKMT2A
SCHEMBL10495642 0.77 KMT2A (0.41) KMT2AMEN1KDM4EALDH1A1HPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4886801-A Diazine-ethenylphenyl oxamic acids and esters and salts thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1989-12-12 US disclosed
US-4788198-A ANTIALLERGENS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1988-11-29 US disclosed
EP-0137979-B1 DIAZINE-ETHENYLPHENYL OXAMIC ACIDS AND ESTERS AND SALTS THEREOF Boehringer Ingelheim Pharmaceuticals Inc. (US) 1988-10-26 EP disclosed
US-4681884-A ANTIALLERGEN, ANTIINFLAMMATORY BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1987-07-21 US disclosed
EP-0137979-A1 Diazine-ethenylphenyl oxamic acids and esters and salts thereof Boehringer Ingelheim Pharmaceuticals Inc. (US) 1985-04-24 EP disclosed