SCHEMBL9179367

SCHEMBL9179367

COC(=O)Cc1cccc2c1C(=O)Nc1cc(OCc3ccccc3)ccc1N2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.47
MAOA P21397 7/20 0.47
CREBBP Q92793 1/20 0.44
STK10 O94804 1/20 0.41
SLK Q9H2G2 1/20 0.41
HIF1A Q16665 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FFAR1 O14842 1/20 0.39
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NR4A2 P43354 1/20 0.39
TNKS2 Q9H2K2 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
SCHEMBL8890233 0.74 MAOA (0.69) MAOBMAOACREBBPTNKS2
SCHEMBL10927781 0.72 S1PR1 (0.57) MAOBL3MBTL1FFAR1NPC1RAB9A
SCHEMBL13760599 0.72 ALDH1A1 (0.51) MAOBL3MBTL1LTB4RLTB4R2NPC1
SCHEMBL5446276 0.72 L3MBTL1 (0.53) MAOBL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL2848161 0.71 MAOB (0.60) MAOBL3MBTL1FFAR1LTB4RLTB4R2
SCHEMBL29593701 0.71 MAOB (0.50) MAOBL3MBTL1FFAR1NPC1RAB9A
SCHEMBL21383069 0.70 MAOB (0.51) MAOBHIF1AL3MBTL1LTB4RLTB4R2
SCHEMBL853597 0.69 LTA4H (0.64)
SCHEMBL30176255 0.69 LTA4H (0.64)
SCHEMBL6664147 0.69 ALDH1A1 (0.60) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5420123-A Dibenzodiazepine endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1995-05-30 US disclosed