SCHEMBL9201624

SCHEMBL9201624

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.47
PTGS1 P23219 5/20 0.47
AOC3 Q16853 1/20 0.45
CHRNA7 P36544 2/20 0.45
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
MALT1 Q9UDY8 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.43
SLC16A3 O15427 1/20 0.42
SLC16A1 P53985 1/20 0.42
NR3C2 P08235 2/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL9209960 0.85 AOC3 (0.64) PTGS2PTGS1AOC3CHRNA7
SCHEMBL9208745 0.83 MALT1 (0.67) AOC3RXRARXRBRXRGMALT1
SCHEMBL9203794 0.81 PTGS2 (0.48) PTGS2PTGS1CHRNA7RXRARXRB
SCHEMBL9208424 0.80 PTGS2 (0.49) PTGS2PTGS1CHRNA7RXRARXRB
SCHEMBL9205227 0.80 PTGS2 (0.51) PTGS2PTGS1CHRNA7RXRARXRB
SCHEMBL9211086 0.78 PTGS2 (0.45) PTGS2PTGS1CHRNA7RXRARXRB
SCHEMBL9202688 0.78 CHRNA7 (0.71) PTGS2CHRNA7MEN1KMT2AATM
SCHEMBL9200872 0.78 CHRNA7 (0.71) PTGS2CHRNA7MEN1KMT2AATM
SCHEMBL9204658 0.77 KMT2A (0.72) PTGS2CHRNA7MEN1KMT2AATM
SCHEMBL9204760 0.77 KMT2A (0.72) PTGS2CHRNA7MEN1KMT2AATM

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