SCHEMBL9202425

SCHEMBL9202425

CSc1ccc(-c2cc(C#N)nn2-c2ccc(F)cc2F)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.48
NR3C2 P08235 1/20 0.37
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PTGS1 P23219 2/20 0.35
LMNA P02545 1/20 0.35
KDM1A O60341 5/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL9207196 0.91 PTGS2 (0.46) PTGS2NR3C2CYP11B1CYP11B2PTGS1
SCHEMBL9207304 0.87 PTGS2 (0.44) PTGS2NR3C2CYP11B1CYP11B2PTGS1
SCHEMBL9201792 0.84 PTGS2 (0.63) PTGS2NR3C2PTGS1KDM1A
SCHEMBL9209095 0.84 PTGS2 (0.63) PTGS2NR3C2PTGS1KDM1A
SCHEMBL9278196 0.84 PTGS2 (0.45) PTGS2NR3C2RAB9APTGS1L3MBTL1
SCHEMBL9202256 0.81 PTGS2 (0.47) PTGS2NR3C2NPC1RAB9APTGS1
SCHEMBL9204779 0.81 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL9211018 0.78 MARS1 (0.56) PTGS2L3MBTL1
SCHEMBL9206528 0.77 RXRA (0.40) PTGS2NR3C2PTGS1
SCHEMBL9202142 0.77 PTGS2 (0.52) PTGS2PTGS1KDM1AL3MBTL1

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