SCHEMBL7878950

SCHEMBL7878950

CSc1ccc(-c2cc(N)nn2-c2ccc(Cl)c(C)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.43
PTGS1 P23219 3/20 0.43
RPA1 P27694 9/20 0.41
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38
GABRQ Q9UN88 1/20 0.38
MALT1 Q9UDY8 1/20 0.36

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
SCHEMBL7876568 0.90 POLB (0.46) PTGS2PTGS1RPA1GABRPGABRD
SCHEMBL7867743 0.85 PTGS2 (0.46) PTGS2PTGS1KDM4CKDM5B
SCHEMBL7872931 0.85 PTGS2 (0.46) PTGS2PTGS1GABRPGABRDGABRA1
SCHEMBL7872744 0.84 RIPK2 (0.43) PTGS2PTGS1RPA1GABRPGABRD
SCHEMBL8645116 0.84 MALT1 (0.50) PTGS2PTGS1RPA1MALT1PPP1CA
SCHEMBL7872834 0.82 PTGS2 (0.46) PTGS2PTGS1GABRPGABRDGABRA1
SCHEMBL7876607 0.82 PTGS2 (0.46) PTGS2PTGS1KDM4CKDM5B
SCHEMBL7867813 0.82 PTGS2 (0.44) PTGS2PTGS1RPA1GABRPGABRD
SCHEMBL7872838 0.80 PTGS2 (0.47) PTGS2PTGS1RPA1MALT1POLB
SCHEMBL9202494 0.79 PTGS2 (0.52) PTGS2PTGS1SMN1; SMN2

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
US-6316485-B1 INHIBITS ACTIVITY OF CYCLOOXYGENASE-2; FOR THERAPY AND PROPHYLAXIS OF INFLAMMATION, THROMBOSIS, RHEUMATOID ARTHRITIS, ALZHEIMER'S DISEASE; AS ANALGESIC FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 US disclosed