SCHEMBL7876568

SCHEMBL7876568

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
PTGS2 P35354 2/20 0.43
PTGS1 P23219 1/20 0.43
RPA1 P27694 7/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
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

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
SCHEMBL7878950 0.90 PTGS2 (0.43) POLBPTGS2PTGS1RPA1GABRP
SCHEMBL7876607 0.85 PTGS2 (0.46) PTGS2PTGS1MEN1KMT2ALMNA
SCHEMBL7872834 0.85 PTGS2 (0.46) PTGS2PTGS1NPC1RAB9AMEN1
SCHEMBL7867813 0.84 PTGS2 (0.44) POLBPTGS2PTGS1RPA1NPC1
SCHEMBL8645116 0.84 MALT1 (0.50) PTGS2PTGS1RPA1MEN1KMT2A
SCHEMBL7867743 0.82 PTGS2 (0.46) PTGS2PTGS1MEN1KMT2ALMNA
SCHEMBL7872931 0.82 PTGS2 (0.46) PTGS2PTGS1MEN1KMT2AMAPT
SCHEMBL7872744 0.82 RIPK2 (0.43) PTGS2PTGS1RPA1GABRPGABRD
SCHEMBL7872838 0.80 PTGS2 (0.47) POLBPTGS2PTGS1RPA1NPC1
SCHEMBL9202494 0.79 PTGS2 (0.52) PTGS2PTGS1NPC1RAB9AMEN1

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
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
EP-1017678-A1 1,5-DIPHENYLPYRAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-12 EP disclosed
WO-1999015505-A1 1,5-DIPHENYLPYRAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-04-01 WO disclosed