SCHEMBL4440418

SCHEMBL4440418

COc1ccc(C(=O)Nc2ccc(C(C)(C)CNC(=O)c3cc4ccccc4[nH]c3=O)cc2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
NQO2 P16083 1/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
NR1H4 Q96RI1 1/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PKM P14618 1/20 0.45
MAPT P10636 3/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.44
MAPK10 P53779 1/20 0.44
HPSE Q9Y251 1/20 0.43
ROCK2 O75116 1/20 0.42
EGFR P00533 1/20 0.42
PIK3CA P42336 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL28785487 0.88 NPC1 (0.49) NPC1RAB9ANQO2CASP3SENP7
SCHEMBL2815122 0.83 KMT2A (0.57) NPC1RAB9ANQO2CASP3SENP7
SCHEMBL4440686 0.83 NPC1 (0.49) NPC1RAB9ANQO2CASP3SENP7
SCHEMBL2818006 0.82 MEN1 (0.53) NPC1RAB9ANQO2CASP3SENP7
SCHEMBL2816819 0.82 MEN1 (0.63) NPC1RAB9ANQO2CASP3SENP7
SCHEMBL4556336 0.82 NPC1 (0.58) NPC1RAB9ANQO2CASP3SENP7
SCHEMBL2814902 0.82 MAPT (0.61) NPC1RAB9ANQO2CASP3SENP7
SCHEMBL4556084 0.80 DHPS (0.56) NPC1RAB9ANQO2CASP3SENP7
SCHEMBL27775778 0.80 NPC1 (0.53) NPC1RAB9ANQO2CASP3SENP7
SCHEMBL2816216 0.79 ROCK2 (0.56) NPC1RAB9ANQO2CASP3SENP7

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 disclosed
WO-2008117175-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2008-10-02 WO disclosed