SCHEMBL4554530

SCHEMBL4554530

COc1ccc(C(=O)Nc2ccc(C(C)(C)CN)cc2)cc1OC.O=C(O)c1cnc2ccccn12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 4/20 0.45
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 3/20 0.43
POLB P06746 2/20 0.43
RAB9A P51151 2/20 0.43
NQO2 P16083 1/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
NAMPT P43490 1/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PKM P14618 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
LMNA P02545 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
KIT P10721 1/20 0.42

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
SCHEMBL4554526 0.90 MEN1 (0.49) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL4554528 0.87 MEN1 (0.47) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL4440155 0.85 MEN1 (0.46) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL2814428 0.81 KMT2A (0.60) MEN1KMT2AMAPTNPC1POLB
SCHEMBL2816485 0.80 MAPT (0.44) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL4554814 0.79 MEN1 (0.50) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL4555541 0.76 MAPT (0.49) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL4438564 0.75 PKM (0.46) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL4556271 0.75 PKM (0.46) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL4555729 0.75 NTRK1 (0.52) MEN1KMT2AMAPTSMN1; SMN2LMNA

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