SCHEMBL9740969

SCHEMBL9740969

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

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.66
PTGS1 P23219 5/20 0.66
CYP2C9 P11712 1/20 0.50

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
SCHEMBL9204374 0.86 PTGS2 (0.69) PTGS2PTGS1CYP2C9
SCHEMBL9199301 0.86 PTGS2 (0.66) PTGS2PTGS1CYP2C9
SCHEMBL9201352 0.83 PTGS2 (0.68) PTGS2PTGS1CYP2C9
SCHEMBL9210816 0.83 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL9200338 0.81 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL9207613 0.80 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL8954495 0.80 PTGS2 (0.81) PTGS2PTGS1CYP2C9
SCHEMBL25150243 0.80 PTGS2 (0.72) PTGS2PTGS1CYP2C9
SCHEMBL9273738 0.80 PTGS2 (0.72) PTGS2PTGS1CYP2C9
SCHEMBL9089661 0.79 PTGS1 (0.74) PTGS2PTGS1CYP2C9

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-5134142-A PYRAZOLE DERIVATIVES, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-07-28 US disclosed