SCHEMBL9208685

SCHEMBL9208685

BrCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 4/20 0.69
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
CRHBP P24387 3/20 0.42
CRHR2 Q13324 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 2/20 0.40
TSHR P16473 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MERTK Q12866 2/20 0.36
MAPK1 P28482 2/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
NR1H3 Q13133 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL9208452 1.00 PTGIR (0.69) PTGIRMEN1KMT2ACRHBPCRHR2
SCHEMBL9206431 1.00 PTGIR (0.69) PTGIRMEN1KMT2ACRHBPCRHR2
SCHEMBL9206520 0.85 PTGIR (0.73) PTGIRMEN1KMT2ACRHBPCRHR2
SCHEMBL9203880 0.84 PTGIR (0.71) PTGIRMEN1KMT2ACRHBPCRHR2
SCHEMBL9202086 0.82 PTGIR (1.00) PTGIRTSHRKDM4EHSD17B10
SCHEMBL9206363 0.82 PTGIR (1.00) PTGIRTSHRKDM4EHSD17B10
Water SCHEMBL9205391 0.82 PTGIR (0.64) PTGIRMEN1KMT2ACRHBPCRHR2
SCHEMBL9206357 0.82 PTGIR (1.00) PTGIRTSHRKDM4EHSD17B10
SCHEMBL9206421 0.82 PTGIR (0.64) PTGIRMEN1KMT2ACRHBPCRHR2
SCHEMBL9209473 0.82 PTGIR (0.68) PTGIRMEN1KMT2ACRHBPCRHR2

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