SCHEMBL9839161

SCHEMBL9839161

CC1(C)C(=O)Nc2cc(NC(=O)c3ccc(S(C)(=O)=O)cc3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.51
ADORA2A P29274 1/20 0.51
ADORA2B P29275 1/20 0.51
ADORA1 P30542 1/20 0.51
MAPK14 Q16539 3/20 0.45
RORC P51449 1/20 0.44
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
LRRK2 Q5S007 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
CYP26A1 O43174 2/20 0.43
CYP3A4 P08684 2/20 0.43
RARA P10276 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 1/20 0.43
PGR P06401 1/20 0.43
RARB P10826 1/20 0.43
RARG P13631 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
SCHEMBL10477973 0.85 MEN1 (0.56) ADORA3MAPK14KDM4EMEN1KMT2A
SCHEMBL9312281 0.85 NQO2 (0.51) ADORA3MAPK14MEN1KMT2ACYP26A1
SCHEMBL9312304 0.84 GSK3B (0.53) ADORA3MEN1KMT2ACYP26A1CYP3A4
SCHEMBL9313806 0.83 ADORA3 (0.48) ADORA3ADORA2AADORA2BADORA1KDM4E
SCHEMBL9840703 0.82 MAPK14 (0.45) ADORA3MAPK14MEN1KMT2ACYP26A1
SCHEMBL10478091 0.82 TRPV1 (0.52) RORCMEN1KMT2ANPC1RAB9A
SCHEMBL10478082 0.82 KMT2A (0.59) KDM4EMEN1KMT2ACYP3A4NPC1
SCHEMBL9376481 0.82 KDM4E (0.51) MAPK14KDM4ETDP1MEN1KMT2A
SCHEMBL10478095 0.82 RXFP1 (0.48) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL9840437 0.81 GAA (0.53) MAPK14KDM4ETDP1KMT2ARAB9A

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