SCHEMBL9207571

SCHEMBL9207571

CSc1ccc(-c2cc(C(=O)Nc3ccccc3)nn2-c2ccc(F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.58
PTGS1 P23219 2/20 0.58
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
ATM Q13315 1/20 0.55
MALT1 Q9UDY8 3/20 0.53
MAPK9 P45984 1/20 0.52
EPHX2 P34913 1/20 0.52
PPP1CA P62136 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMPD1 P17405 1/20 0.48
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CACNA1G O43497 1/20 0.47
CACNA1H O95180 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL9206453 0.84 PTGS2 (0.67) PTGS2PTGS1KMT2AMEN1ATM
SCHEMBL9204658 0.84 KMT2A (0.72) PTGS2KMT2AMEN1ATMPPP1CA
SCHEMBL9204760 0.84 KMT2A (0.72) PTGS2KMT2AMEN1ATMPPP1CA
SCHEMBL9207456 0.83 KMT2A (0.59) PTGS2PTGS1KMT2AMEN1ATM
SCHEMBL6350064 0.82 PTGS2 (0.82) PTGS2PTGS1MAPK9EPHX2
SCHEMBL3865146 0.81 PTGS2 (0.69) PTGS2PTGS1KMT2AMEN1ATM
SCHEMBL9201802 0.81 MALT1 (0.53) PTGS2PTGS1KMT2AMEN1ATM
SCHEMBL9199551 0.81 MEN1 (0.56) PTGS2PTGS1KMT2AMEN1ATM
SCHEMBL9209766 0.81 MEN1 (0.56) PTGS2PTGS1KMT2AMEN1ATM
SCHEMBL27694757 0.80 TDP1 (0.57) PTGS2PTGS1KMT2AMEN1ATM

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
EP-0418845-B1 Pyrazole derivatives, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1995-08-09 EP disclosed
US-5134142-A PYRAZOLE DERIVATIVES, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-07-28 US disclosed
EP-0418845-A1 Pyrazole derivatives, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-03-27 EP disclosed