SCHEMBL5166793

SCHEMBL5166793

COC(=O)c1ccc(OC)c(C(=O)NCc2cccnc2)c1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.87
CYP3A4 P08684 3/20 0.87
TSHR P16473 1/20 0.87
BLM P54132 1/20 0.87
L3MBTL1 Q9Y468 3/20 0.85
CYP2C19 P33261 2/20 0.85
RECQL P46063 1/20 0.73
ALDH1A1 P00352 5/20 0.71
USP2 O75604 1/20 0.71
NPSR1 Q6W5P4 1/20 0.71
POLB P06746 1/20 0.65
GAA P10253 2/20 0.62
ROCK2 O75116 1/20 0.57
ROCK1 Q13464 1/20 0.57
KDM4E B2RXH2 1/20 0.56
MAPK1 P28482 1/20 0.56
PDE10A Q9Y233 1/20 0.56
MMP13 P45452 1/20 0.56
PKM P14618 1/20 0.55
HPGD P15428 1/20 0.55

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
Picotamide SCHEMBL30206880 0.93 CYP1A2 (1.00) CYP1A2CYP3A4TSHRBLML3MBTL1
Picotamide SCHEMBL137025 0.93 CYP1A2 (1.00) CYP1A2CYP3A4TSHRBLML3MBTL1
Picotamide SCHEMBL30254057 0.93 CYP1A2 (1.00) CYP1A2CYP3A4TSHRBLML3MBTL1
Picotamide SCHEMBL4877561 0.92 CYP1A2 (0.98) CYP1A2CYP3A4TSHRBLML3MBTL1
Picotamide SCHEMBL2916058 0.92 L3MBTL1 (1.00) CYP1A2CYP3A4TSHRBLML3MBTL1
Picotamide SCHEMBL4206054 0.92 CYP1A2 (0.98) CYP1A2CYP3A4TSHRBLML3MBTL1
SCHEMBL5170370 0.91 CYP1A2 (0.87) CYP1A2CYP3A4TSHRBLML3MBTL1
Picotamide SCHEMBL4869999 0.90 CYP1A2 (0.93) CYP1A2CYP3A4TSHRBLML3MBTL1
Picotamide SCHEMBL4875206 0.90 CYP1A2 (0.93) CYP1A2CYP3A4TSHRBLML3MBTL1
Picotamide SCHEMBL4877894 0.89 CYP1A2 (0.91) CYP1A2CYP3A4TSHRBLML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270558-B1 \"Compound for the treatment of atherosclerotic-thrombotic pathological conditions\ CASAGRANDE CESARE (IT) 2007-04-25 EP disclosed
US-6525078-B1 Compound for the treatment of atherosclerotic-thrombotic pathological conditions CASAGRANDE CESARE (IT) 2003-02-25 US disclosed
EP-1270558-A1 \"Compound for the treatment of atherosclerotic-thrombotic pathological conditions\ Casagrande, Cesare (IT) 2003-01-02 EP disclosed