SCHEMBL9206520

SCHEMBL9206520

OCCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 3/20 0.73
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
FRK P42685 1/20 0.46
MAPK9 P45984 1/20 0.46
CSNK1A1 P48729 1/20 0.46
CSNK1D P48730 1/20 0.46
GSK3B P49841 1/20 0.46
PRKD2 Q9BZL6 1/20 0.46
MAP4K5 Q9Y4K4 1/20 0.46
CNR2 P34972 5/20 0.44
MPO P05164 1/20 0.44
CNR1 P21554 3/20 0.43
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CRHBP P24387 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
CRHR2 Q13324 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
SCHEMBL9203880 0.98 PTGIR (0.71) PTGIRPRKD3MAP4K4FRKMAPK9
SCHEMBL9208685 0.85 PTGIR (0.69) PTGIRMEN1CYP1A2CYP2C9CRHBP
SCHEMBL9206431 0.85 PTGIR (0.69) PTGIRMEN1CYP1A2CYP2C9CRHBP
SCHEMBL9208452 0.85 PTGIR (0.69) PTGIRMEN1CYP1A2CYP2C9CRHBP
SCHEMBL9206357 0.85 PTGIR (1.00) PTGIR
SCHEMBL9206363 0.85 PTGIR (1.00) PTGIR
SCHEMBL9202086 0.85 PTGIR (1.00) PTGIR
SCHEMBL9198869 0.85 PTGIR (1.00) PTGIR
SCHEMBL9200683 0.85 PTGIR (1.00) PTGIR
Water SCHEMBL9203487 0.83 PTGIR (0.97) PTGIR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0417449-B1 Arylpyrazole derivatives as platelet aggregation inhibitors BRISTOL MYERS SQUIBB CO (US) 1995-02-15 EP disclosed
US-5071866-A Arylpyrazole derivatives as anti-platelet agents BRISTOL-MYERS SQUIBB COMPANY (US) 1991-12-10 US disclosed
EP-0417449-A1 Arylpyrazole derivatives as platelet aggregation inhibitors Bristol-Myers Squibb Company (US) 1991-03-20 EP disclosed
US-4994482-A Anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 1991-02-19 US disclosed