SCHEMBL9741111

SCHEMBL9741111

C=C(CNC=Cc1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.52
MAOA P21397 4/20 0.52
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
PLIN1 O60240 1/20 0.39
LMNA P02545 1/20 0.39
BCHE P06276 1/20 0.39
MAPT P10636 1/20 0.39
TNFRSF1A P19438 1/20 0.39
ACHE P22303 1/20 0.39
RECQL P46063 1/20 0.39
PLIN5 Q00G26 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
SCHEMBL6661243 0.76 PAM (0.52) MAOBNPC1RAB9AMEN1ALDH1A1
SCHEMBL6661240 0.76 PAM (0.52) MAOBNPC1RAB9AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL5694909 0.72 MAOA (0.67) MAOBMAOAMEN1CYP3A4HPGD
SCHEMBL472992 0.69 ALDH1A1 (0.41) MAOBMAOANPC1RAB9AMEN1
SCHEMBL3408178 0.69 NPC1 (0.44) MAOBNPC1RAB9AALDH1A1CYP1A2
SCHEMBL4431663 0.69 MAOB (0.50) MAOBMAOANPC1RAB9AMEN1
SCHEMBL264894 0.69 MAOB (0.55) MAOBMAOANPC1RAB9AMEN1
SCHEMBL264895 0.69 MAOB (0.55) MAOBMAOANPC1RAB9AMEN1
SCHEMBL1507314 0.69 MAOB (0.44) MAOBNPC1RAB9AALDH1A1
SCHEMBL3233560 0.69 CYP1B1 (0.57) MAOBMAOARAB9AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5079093-A Two layer polymeric coating wherein layers react with each other TORAY INDUSTRIES, INC. (JP) 1992-01-07 US disclosed
EP-0389632-A1 SLIPPERY MEDICAL MATERIAL AND PROCESS FOR ITS PRODUCTION TORAY INDUSTRIES, INC. (JP) 1990-10-03 EP disclosed