SCHEMBL9207656

SCHEMBL9207656

C[S+]([O-])c1ccc(-c2cc(C#N)nn2-c2ccc(F)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.64
NR3C2 P08235 1/20 0.52
PTGS1 P23219 4/20 0.43
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
AOC3 Q16853 1/20 0.39
ATM Q13315 1/20 0.39
CHRNA7 P36544 1/20 0.39
PGR P06401 1/20 0.39
KDM1A O60341 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
SCHEMBL9202256 0.85 PTGS2 (0.47) PTGS2NR3C2PTGS1KDM1A
Hydrochloric Acid SCHEMBL9199540 0.85 PTGS2 (0.47) PTGS2NR3C2PTGS1
SCHEMBL8641974 0.84 PTGS2 (0.46) PTGS2NR3C2PTGS1PGR
SCHEMBL9210967 0.82 PTGS2 (0.69) PTGS2NR3C2PTGS1MEN1KMT2A
SCHEMBL9207743 0.81 PTGS2 (0.46) PTGS2NR3C2PTGS1KDM1A
SCHEMBL9207646 0.81 PTGS2 (0.65) PTGS2NR3C2PTGS1
SCHEMBL9208027 0.81 PTGS2 (0.42) PTGS2NR3C2PTGS1
SCHEMBL9203156 0.81 PTGS2 (0.78) PTGS2NR3C2PTGS1AOC3
SCHEMBL9201549 0.81 PTGS2 (0.78) PTGS2NR3C2PTGS1AOC3
SCHEMBL6450574 0.80 PTGS2 (0.67) PTGS2NR3C2PTGS1MEN1KMT2A

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 5 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 claimed
EP-0418845-A1 Pyrazole derivatives, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-03-27 EP claimed
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