SCHEMBL4556336

SCHEMBL4556336

COc1ccc(C(=O)Nc2ccc(C(C)(C)CNC(=O)c3nc4ccccc4[nH]3)cc2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
TP53 P04637 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TSHR P16473 1/20 0.55
MAPK10 P53779 1/20 0.55
HPSE Q9Y251 8/20 0.54
POLB P06746 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 2/20 0.49
PKM P14618 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HPGD P15428 1/20 0.49
NQO2 P16083 1/20 0.48
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
NR1H4 Q96RI1 1/20 0.46

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
SCHEMBL4555051 0.89 ALDH1A1 (0.47) NPC1RAB9ATP53SMN1; SMN2TSHR
SCHEMBL4448114 0.88 LMNA (0.48) NPC1RAB9ATP53SMN1; SMN2TSHR
SCHEMBL4556337 0.86 NPC1 (0.56) NPC1RAB9ATP53SMN1; SMN2TSHR
SCHEMBL2816819 0.83 MEN1 (0.63) NPC1RAB9ATP53SMN1; SMN2POLB
SCHEMBL4556335 0.82 NPC1 (0.58) NPC1RAB9ATP53SMN1; SMN2TSHR
SCHEMBL4440418 0.82 NPC1 (0.49) NPC1RAB9ATP53SMN1; SMN2TSHR
SCHEMBL4439127 0.81 HPSE (0.49) NPC1RAB9ATP53SMN1; SMN2TSHR
SCHEMBL4555728 0.81 FLT3 (0.55) NPC1SMN1; SMN2L3MBTL1KDM4EALDH1A1
SCHEMBL2815122 0.80 KMT2A (0.57) NPC1RAB9ATP53SMN1; SMN2POLB
SCHEMBL2818006 0.80 MEN1 (0.53) NPC1RAB9AL3MBTL1PKMMEN1

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