SCHEMBL4554526

SCHEMBL4554526

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
MAPT P10636 5/20 0.46
POLB P06746 3/20 0.46
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
NQO2 P16083 1/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
ALDH1A1 P00352 2/20 0.44
PKM P14618 2/20 0.44
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NAMPT P43490 1/20 0.44
TP53 P04637 1/20 0.44
LMNA P02545 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
CFTR P13569 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
SCHEMBL4554530 0.90 MEN1 (0.48) MEN1KMT2AMAPTPOLBADORA2A
SCHEMBL4554528 0.83 MEN1 (0.47) MEN1KMT2AMAPTPOLBNPC1
SCHEMBL4440155 0.82 MEN1 (0.46) MEN1KMT2AMAPTPOLBNPC1
SCHEMBL2814444 0.80 KMT2A (0.62) MEN1KMT2AMAPTPOLBNPC1
SCHEMBL4554811 0.79 MEN1 (0.53) MEN1KMT2AMAPTPOLBNPC1
SCHEMBL2816485 0.79 MAPT (0.44) MEN1KMT2AMAPTPOLBNPC1
SCHEMBL4555539 0.75 MAPT (0.50) MEN1KMT2AMAPTPOLBADORA2A
SCHEMBL4555727 0.74 FLT3 (0.52) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL4556335 0.74 NPC1 (0.58) MEN1KMT2AMAPTPOLBNPC1
SCHEMBL4556269 0.74 PLAU (0.47) MEN1KMT2AMAPTPOLBNPC1

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