SCHEMBL9029314

SCHEMBL9029314

O=C(Nc1ccc(Cl)cc1)OCc1cccc(Cc2c[nH]cn2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CYP1A2 P05177 4/20 0.46
CYP2C9 P11712 4/20 0.46
CYP2C19 P33261 4/20 0.46
CYP2D6 P10635 3/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPT P10636 4/20 0.44
SCD O00767 1/20 0.44
ROCK2 O75116 1/20 0.44
POLB P06746 4/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL6972522 0.89 NPC1 (0.53) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL9027127 0.84 MAPT (0.41) RAB9ASMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL9080811 0.81 ALDH1A1 (0.42) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL6972709 0.81 NPC1 (0.52) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL6968612 0.80 ROCK2 (0.47) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL6972421 0.79 POLB (0.54) NPC1RAB9ASMN1; SMN2MAPTROCK2
SCHEMBL9023637 0.79 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL9033928 0.79 SMN1; SMN2 (0.38) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7103005 0.78 MGLL (0.44) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL7097234 0.77 PARP1 (0.41) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5578616-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, TREATMENT FOR GASTROINTESTINAL AND CARDIOVASCULAR DISORDERS SCHERING CORPORATION (US) 1996-11-26 US disclosed
EP-0729459-A1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 1996-09-04 EP disclosed
WO-1995014007-A1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 1995-05-26 WO disclosed