SCHEMBL4555550

SCHEMBL4555550

COc1ccc(C(=O)Nc2ccc(C(C)(C)CNC(=O)c3ccc4c(c3)n(C)c(=O)n4C)cc2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
ATM Q13315 1/20 0.53
RAB9A P51151 3/20 0.49
BRPF1 P55201 2/20 0.49
TSHR P16473 2/20 0.49
BRD4 O60885 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 2/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 3/20 0.46
TP53 P04637 2/20 0.46
HTT P42858 1/20 0.46
NR0B1 P51843 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 2/20 0.46
PKM P14618 1/20 0.46
ROCK2 O75116 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
SCHEMBL4555552 0.86 SMN1; SMN2 (0.57) SMN1; SMN2MEN1KMT2AATMRAB9A
SCHEMBL2815071 0.84 MEN1 (0.54) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL2816819 0.84 MEN1 (0.63) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL2814955 0.83 ALDH1A1 (0.65) SMN1; SMN2MEN1KMT2AATMRAB9A
SCHEMBL4555548 0.82 SMN1; SMN2 (0.59) SMN1; SMN2MEN1KMT2AATMRAB9A
SCHEMBL2813712 0.82 KMT2A (0.67) SMN1; SMN2MEN1KMT2ARAB9AL3MBTL1
SCHEMBL2819556 0.82 MEN1 (0.56) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL2815527 0.82 MEN1 (0.56) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL4554813 0.81 NPC1 (0.51) SMN1; SMN2MEN1KMT2ARAB9ATSHR
SCHEMBL2846912 0.81 MAPT (0.52) SMN1; SMN2MEN1KMT2ARAB9ANPC1

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