SCHEMBL9840703

SCHEMBL9840703

CSc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)C3(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.45
KMT2A Q03164 4/20 0.43
CYP26A1 O43174 2/20 0.43
CYP3A4 P08684 2/20 0.43
RARA P10276 2/20 0.43
MEN1 O00255 2/20 0.43
PGR P06401 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
RARB P10826 1/20 0.43
RARG P13631 1/20 0.43
TBXA2R P21731 1/20 0.43
BLVRB P30043 1/20 0.43
PLK1 P53350 1/20 0.42
TNF P01375 1/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
GSK3B P49841 1/20 0.42
MAPT P10636 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
SCHEMBL9312281 0.86 NQO2 (0.51) MAPK14KMT2ACYP26A1CYP3A4RARA
SCHEMBL10477973 0.86 MEN1 (0.56) MAPK14KMT2ACYP26A1CYP3A4RARA
SCHEMBL9312304 0.85 GSK3B (0.53) KMT2ACYP26A1CYP3A4RARAMEN1
SCHEMBL10478082 0.83 KMT2A (0.59) KMT2ACYP3A4MEN1GSK3BMAPT
SCHEMBL10478091 0.83 TRPV1 (0.52) KMT2AMEN1MAPTRXFP1NPC1
SCHEMBL9840437 0.82 GAA (0.53) MAPK14KMT2ALMNARAB9ASMN1; SMN2
SCHEMBL9839161 0.82 ADORA3 (0.51) MAPK14KMT2ACYP26A1CYP3A4RARA
SCHEMBL9839160 0.81 MEN1 (0.59) MAPK14KMT2AMEN1MAPTNPC1
SCHEMBL9375391 0.79 CYP26A1 (0.52) MAPK14KMT2ACYP26A1CYP3A4RARA
SCHEMBL9376571 0.79 CYP26A1 (0.52) MAPK14KMT2ACYP26A1CYP3A4RARA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991001986-A1 N-(DIALKYLOXOPHOSPHINYLALKYL)-LACTAMS, PROCESS FOR PREPARING THEM AND DRUGS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1991-02-21 WO disclosed