SCHEMBL4555552

SCHEMBL4555552

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
ATM Q13315 1/20 0.51
PKM P14618 2/20 0.48
BRPF1 P55201 2/20 0.47
BRD4 O60885 1/20 0.47
RAB9A P51151 3/20 0.47
TSHR P16473 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
EPHX2 P34913 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
NPC1 O15118 2/20 0.45
POLB P06746 2/20 0.45
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
NR0B1 P51843 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL4555548 0.89 SMN1; SMN2 (0.59) SMN1; SMN2MEN1KMT2AATMPKM
SCHEMBL4555550 0.86 SMN1; SMN2 (0.60) SMN1; SMN2MEN1KMT2AATMPKM
SCHEMBL2814428 0.84 KMT2A (0.60) SMN1; SMN2MEN1KMT2APKMRAB9A
SCHEMBL4554814 0.81 MEN1 (0.50) SMN1; SMN2MEN1KMT2APKMRAB9A
SCHEMBL4446512 0.80 PKM (0.51) SMN1; SMN2MEN1KMT2APKMRAB9A
SCHEMBL4556044 0.79 NR1H4 (0.49) SMN1; SMN2MEN1KMT2APKMRAB9A
SCHEMBL2814726 0.77 KMT2A (0.58) SMN1; SMN2MEN1KMT2APKMRAB9A
SCHEMBL4556271 0.77 PKM (0.46) SMN1; SMN2MEN1KMT2APKMRAB9A
SCHEMBL2814725 0.75 KMT2A (0.58) SMN1; SMN2MEN1KMT2APKMRAB9A
SCHEMBL4438564 0.75 PKM (0.46) SMN1; SMN2MEN1KMT2APKMBRD4

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