SCHEMBL4556271

SCHEMBL4556271

COc1ccc(C(=O)Nc2ccc(C(C)(C)CN)cc2)cc1OC.O=C(O)c1cnc2[nH]ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 3/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 2/20 0.42
NQO2 P16083 1/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
PLAU P00749 1/20 0.41
NR1H4 Q96RI1 3/20 0.41
EPHX2 P34913 1/20 0.41
LMNA P02545 1/20 0.41
IMPDH2 P12268 1/20 0.41

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
SCHEMBL4556269 0.90 PLAU (0.47) PKMMEN1KMT2AALDH1A1MAPT
SCHEMBL4438564 0.86 PKM (0.46) PKMMEN1KMT2AALDH1A1MAPT
SCHEMBL4556270 0.86 MEN1 (0.45) PKMMEN1KMT2AALDH1A1MAPT
SCHEMBL27796830 0.86 MAPT (0.46) PKMMEN1KMT2AALDH1A1MAPT
SCHEMBL4556044 0.85 NR1H4 (0.49) PKMMEN1KMT2AALDH1A1MAPT
SCHEMBL4555967 0.84 EPHX2 (0.39) ALDH1A1SMN1; SMN2KDM4EHTTNR1H4
SCHEMBL2814428 0.82 KMT2A (0.60) PKMMEN1KMT2AALDH1A1MAPT
SCHEMBL4556081 0.79 AAK1 (0.47) PKMMEN1KMT2AALDH1A1MAPT
SCHEMBL4555840 0.79 EPHX2 (0.41) PKMMEN1KMT2AALDH1A1NPC1
SCHEMBL4556085 0.78 DHPS (0.52) PKMMEN1KMT2AALDH1A1MAPT

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