SCHEMBL4555548

SCHEMBL4555548

COc1ccc(C(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)cc1OC.Cn1c(=O)n(C)c2cc(C(=O)O)ccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.59
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
ATM Q13315 1/20 0.53
PKM P14618 2/20 0.49
BRPF1 P55201 3/20 0.48
TSHR P16473 2/20 0.48
BRD4 O60885 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PLAU P00749 1/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
POLB P06746 1/20 0.46
TP53 P04637 2/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 1/20 0.46
NR0B1 P51843 1/20 0.46
USP2 O75604 1/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 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
SCHEMBL4555552 0.89 SMN1; SMN2 (0.57) SMN1; SMN2MEN1KMT2AATMPKM
SCHEMBL2814444 0.84 KMT2A (0.62) SMN1; SMN2MEN1KMT2APKMPLAU
SCHEMBL4555550 0.82 SMN1; SMN2 (0.60) SMN1; SMN2MEN1KMT2AATMPKM
SCHEMBL4554811 0.81 MEN1 (0.53) SMN1; SMN2MEN1KMT2APKMPLAU
SCHEMBL4446507 0.79 PKM (0.53) SMN1; SMN2MEN1KMT2APKMPLAU
SCHEMBL4556042 0.78 ESR1 (0.49) SMN1; SMN2MEN1KMT2APKMPLAU
SCHEMBL4556269 0.76 PLAU (0.47) SMN1; SMN2MEN1KMT2APKMPLAU
SCHEMBL11162884 0.75 PKM (0.82) SMN1; SMN2MEN1KMT2APKMRAB9A
SCHEMBL4438559 0.74 PKM (0.47) SMN1; SMN2MEN1KMT2APKMBRD4
SCHEMBL7301440 0.74 SMN1; SMN2 (0.78) SMN1; SMN2MEN1KMT2APKMRAB9A

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