SCHEMBL4556044

SCHEMBL4556044

COc1ccc(C(=O)Nc2ccc(C(C)(C)CN)cc2)cc1OC.O=C(O)c1ccc2cc[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.49
EPHX2 P34913 1/20 0.49
ESR1 P03372 4/20 0.48
PKM P14618 3/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
NQO2 P16083 1/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
ENPP2 Q13822 1/20 0.45
HSD17B10 Q99714 1/20 0.45
USP2 O75604 1/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL4556042 0.89 ESR1 (0.49) NR1H4EPHX2ESR1PKMMEN1
SCHEMBL4556043 0.86 ESR1 (0.50) NR1H4ESR1PKMMEN1KMT2A
SCHEMBL4556271 0.85 PKM (0.46) NR1H4EPHX2PKMMEN1KMT2A
SCHEMBL2814428 0.84 KMT2A (0.60) NR1H4PKMMEN1KMT2ANPC1
SCHEMBL4556085 0.83 DHPS (0.52) NR1H4PKMMEN1KMT2ANPC1
SCHEMBL4446512 0.80 PKM (0.51) NR1H4PKMMEN1KMT2ANPC1
SCHEMBL4555552 0.79 SMN1; SMN2 (0.57) NR1H4EPHX2PKMMEN1KMT2A
SCHEMBL4556337 0.78 NPC1 (0.56) NR1H4PKMMEN1KMT2ANPC1
SCHEMBL4438564 0.78 PKM (0.46) NR1H4PKMMEN1KMT2ANPC1
SCHEMBL27776090 0.78 IMPDH2 (0.51) NR1H4PKMMEN1KMT2ANPC1

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