SCHEMBL4556337

SCHEMBL4556337

COc1ccc(C(=O)Nc2ccc(C(C)(C)CN)cc2)cc1OC.O=C(O)c1nc2ccccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
TP53 P04637 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HPSE Q9Y251 9/20 0.53
TSHR P16473 1/20 0.52
MAPK10 P53779 1/20 0.52
HPGD P15428 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 2/20 0.48
PKM P14618 1/20 0.48
ALDH1A1 P00352 1/20 0.48
NQO2 P16083 1/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
NR1H4 Q96RI1 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
SCHEMBL4556335 0.90 NPC1 (0.58) NPC1RAB9ATP53SMN1; SMN2HPSE
SCHEMBL4555052 0.89 MAPT (0.44) NPC1RAB9ATP53SMN1; SMN2HPSE
SCHEMBL4448117 0.88 LMNA (0.46) NPC1RAB9ATP53SMN1; SMN2HPSE
SCHEMBL4556336 0.86 NPC1 (0.58) NPC1RAB9ATP53SMN1; SMN2HPSE
SCHEMBL4439131 0.84 HPSE (0.49) NPC1RAB9ATP53SMN1; SMN2HPSE
SCHEMBL2814428 0.82 KMT2A (0.60) NPC1RAB9ATP53SMN1; SMN2MEN1
SCHEMBL4439125 0.82 HPSE (0.49) NPC1RAB9ATP53SMN1; SMN2HPSE
SCHEMBL4555729 0.81 NTRK1 (0.52) SMN1; SMN2MEN1KMT2ANR1H4
SCHEMBL4555050 0.79 MAPT (0.45) NPC1RAB9ATP53SMN1; SMN2HPSE
SCHEMBL4556044 0.78 NR1H4 (0.49) NPC1RAB9ATP53SMN1; SMN2HPGD

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