SCHEMBL4554814

SCHEMBL4554814

COc1ccc(C(=O)Nc2ccc(C(C)(C)CN)cc2)cc1OC.Cn1c(C(=O)O)cc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
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
MCL1 Q07820 1/20 0.45
KDM4E B2RXH2 1/20 0.44
NAMPT P43490 1/20 0.44
IMPDH2 P12268 1/20 0.44
PKM P14618 1/20 0.44
NR1H4 Q96RI1 2/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
EPHX2 P34913 1/20 0.44
POLB P06746 2/20 0.43
MAPT P10636 4/20 0.43
USP2 O75604 1/20 0.43
CHEK1 O14757 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
SCHEMBL4554811 0.90 MEN1 (0.53) MEN1KMT2ANPC1RAB9ANQO2
SCHEMBL4554813 0.86 NPC1 (0.51) MEN1KMT2ANPC1RAB9ANQO2
SCHEMBL27775945 0.86 NPC1 (0.51) MEN1KMT2ANPC1RAB9ANQO2
SCHEMBL2814428 0.83 KMT2A (0.60) MEN1KMT2ANPC1RAB9ANQO2
SCHEMBL4555552 0.81 SMN1; SMN2 (0.57) MEN1KMT2ANPC1RAB9APKM
SCHEMBL4554530 0.79 MEN1 (0.48) MEN1KMT2ANPC1RAB9ANQO2
SCHEMBL4556337 0.77 NPC1 (0.56) MEN1KMT2ANPC1RAB9ANQO2
SCHEMBL4446512 0.77 PKM (0.51) MEN1KMT2ANPC1RAB9ANQO2
SCHEMBL2814726 0.76 KMT2A (0.58) MEN1KMT2ANPC1RAB9ANQO2
SCHEMBL4446449 0.76 PIN1 (0.54) MEN1KMT2ANPC1RAB9ANQO2

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