SCHEMBL6961677

SCHEMBL6961677

O=C(NCc1ccc(Cl)cc1)c1ccc(Cc2c[nH]cn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
RAB9A P51151 1/20 0.56
POLB P06746 1/20 0.54
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP3A4 P08684 1/20 0.49
MAPK14 Q16539 1/20 0.49
NAMPT P43490 1/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
EPHX2 P34913 2/20 0.47
PPARG P37231 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL6960067 1.00 MEN1 (0.56) MEN1KMT2ASMN1; SMN2RAB9APOLB
SCHEMBL6973817 0.89 POLB (0.53) MEN1KMT2ASMN1; SMN2RAB9APOLB
SCHEMBL6968562 0.89 POLB (0.53) MEN1KMT2ASMN1; SMN2RAB9APOLB
SCHEMBL6973879 0.89 HDAC6 (0.54) RAB9APOLBLMNATSHREPHX2
SCHEMBL9027973 0.88 IDO1 (0.52) MEN1KMT2ASMN1; SMN2RAB9APOLB
SCHEMBL6962284 0.88 NPC1 (0.59) MEN1KMT2ASMN1; SMN2RAB9APOLB
SCHEMBL6967911 0.88 NPC1 (0.59) MEN1KMT2ASMN1; SMN2RAB9APOLB
SCHEMBL9028240 0.87 RAB9A (0.55) MEN1KMT2ASMN1; SMN2RAB9APOLB
SCHEMBL6972274 0.87 HDAC6 (0.55) POLBNAMPTTSHREPHX2L3MBTL1
SCHEMBL6968642 0.85 POLB (0.40) MEN1KMT2ASMN1; SMN2RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729459-B1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORP (US) 2003-03-12 EP disclosed
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