SCHEMBL4554813

SCHEMBL4554813

COc1ccc(C(=O)Nc2ccc(C(C)(C)CNC(=O)c3cc4ccccc4n3C)cc2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
NQO2 P16083 1/20 0.51
CASP3 P42574 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
IMPDH2 P12268 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
NAMPT P43490 1/20 0.46
NR1H4 Q96RI1 1/20 0.45
POLB P06746 3/20 0.45
MAPT P10636 3/20 0.44
USP2 O75604 1/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ROCK2 O75116 1/20 0.44
ALDH1A1 P00352 1/20 0.43
PKM P14618 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
SCHEMBL27775945 0.88 NPC1 (0.51) NPC1RAB9ANQO2CASP3SENP7
SCHEMBL4554814 0.86 MEN1 (0.50) NPC1RAB9ANQO2CASP3SENP7
SCHEMBL2816819 0.84 MEN1 (0.63) NPC1RAB9ANQO2CASP3SENP7
SCHEMBL4554811 0.83 MEN1 (0.53) NPC1RAB9ANQO2CASP3SENP7
SCHEMBL2815122 0.81 KMT2A (0.57) NPC1RAB9ANQO2CASP3SENP7
SCHEMBL4555550 0.81 SMN1; SMN2 (0.60) NPC1RAB9AMEN1KMT2ATSHR
SCHEMBL2816216 0.80 ROCK2 (0.56) NPC1RAB9ANQO2CASP3SENP7
SCHEMBL2815071 0.80 MEN1 (0.54) NPC1RAB9ANQO2CASP3SENP7
SCHEMBL2819556 0.80 MEN1 (0.56) NPC1RAB9ANQO2CASP3SENP7
SCHEMBL2815527 0.80 MEN1 (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 claimed
WO-2008117175-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2008-10-02 WO claimed