SCHEMBL4440155

SCHEMBL4440155

COc1ccc(C(=O)Nc2ccc(C(C)(C)CCNC(=O)c3cnc4ccccn34)cc2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 2/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KIT P10721 1/20 0.43
DDR1 Q08345 1/20 0.43
DDR2 Q16832 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 4/20 0.43
NQO2 P16083 1/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
NAMPT P43490 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
LMNA P02545 1/20 0.42
NR1H4 Q96RI1 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
SCHEMBL4554528 0.92 MEN1 (0.47) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL4554530 0.85 MEN1 (0.48) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL2816485 0.83 MAPT (0.44) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL4554526 0.82 MEN1 (0.49) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL2813789 0.78 MEN1 (0.54) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL2815993 0.76 CFTR (0.52) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL2814726 0.74 KMT2A (0.58) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL2816819 0.72 MEN1 (0.63) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL4556123 0.72 KCNQ3 (0.42) MEN1KMT2ANPC1TP53SMN1; SMN2
SCHEMBL4439127 0.71 HPSE (0.49) MEN1KMT2ANPC1RAB9ATP53

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