SCHEMBL7872834

SCHEMBL7872834

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.46
PTGS1 P23219 4/20 0.46
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
PDPK1 O15530 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33

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
SCHEMBL7872931 0.90 PTGS2 (0.46) PTGS2PTGS1KDM4CKDM5BPDPK1
SCHEMBL7876568 0.85 POLB (0.46) PTGS2PTGS1LMNAMEN1KMT2A
SCHEMBL7876607 0.85 PTGS2 (0.46) PTGS2PTGS1KDM4CKDM5BPDPK1
SCHEMBL9202494 0.84 PTGS2 (0.52) PTGS2PTGS1LMNAMEN1KMT2A
SCHEMBL7867743 0.82 PTGS2 (0.46) PTGS2PTGS1KDM4CKDM5BPDPK1
SCHEMBL7878950 0.82 PTGS2 (0.43) PTGS2PTGS1KDM4CKDM5BGABRP
SCHEMBL8645116 0.79 MALT1 (0.50) PTGS2PTGS1MEN1KMT2ACYP3A4
SCHEMBL7465856 0.77 PTGS2 (0.54) PTGS2PTGS1LMNACA1CA2
SCHEMBL7867785 0.77 PTGS2 (0.47) PTGS2PTGS1PDPK1LMNAMEN1
SCHEMBL7872838 0.77 PTGS2 (0.47) PTGS2PTGS1LMNAMEN1KMT2A

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