SCHEMBL4437668

SCHEMBL4437668

CCc1cc(NC(=O)c2ccc(OC)c(OC)c2)ccc1C(C)(C)C#N.COc1ccc(C(=O)Nc2ccc(C(C)(C)CN)cc2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
ALDH1A1 P00352 4/20 0.44
TP53 P04637 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NR1H4 Q96RI1 3/20 0.44
MAPT P10636 6/20 0.44
PKM P14618 2/20 0.44
NQO2 P16083 1/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
KDM4E B2RXH2 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
POLB P06746 2/20 0.42
MAPK1 P28482 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
SCHEMBL2814757 0.91 NPC1 (0.52) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL4437667 0.90 NR1H4 (0.47) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL2816495 0.86 NPC1 (0.53) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL2814428 0.84 KMT2A (0.60) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL4440458 0.83 MAPT (0.52) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL2815613 0.80 NPC1 (0.57) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL2816013 0.80 MEN1 (0.60) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL4448336 0.80 RAB9A (0.43) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL2817108 0.79 MAPT (0.59) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL2816490 0.79 NPC1 (0.54) NPC1RAB9AMEN1KMT2AALDH1A1

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
EP-2134676-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE Addex Pharma SA (CH) 2009-12-23 EP claimed
WO-2008117175-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2008-10-02 WO claimed