SCHEMBL9200872

SCHEMBL9200872

CCOC(=O)c1cc(-c2ccc(F)cc2)n(-c2ccc(SC)cc2)n1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.71
CA9 Q16790 3/20 0.59
PTGS2 P35354 3/20 0.54
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ATM Q13315 1/20 0.51
GABRA2 P47869 1/20 0.50
GABRB2 P47870 1/20 0.50
FAAH O00519 2/20 0.49
PPP1CA P62136 1/20 0.47
BCL2 P10415 2/20 0.46
MDM2 Q00987 2/20 0.46
MCL1 Q07820 2/20 0.46
THRB P10828 1/20 0.45

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
SCHEMBL9202688 1.00 CHRNA7 (0.71) CHRNA7CA9PTGS2MEN1KMT2A
SCHEMBL9201539 0.91 CA9 (0.70) CHRNA7CA9PTGS2FAAHPPP1CA
SCHEMBL9201591 0.89 CA9 (0.61) CHRNA7CA9PTGS2KMT2AFAAH
SCHEMBL9206389 0.89 CA9 (0.64) CHRNA7CA9KMT2AFAAHBCL2
SCHEMBL9203679 0.89 CHRNA7 (0.77) CHRNA7CA9PTGS2MEN1KMT2A
SCHEMBL9206649 0.89 CHRNA7 (0.56) CHRNA7CA9PTGS2KMT2AFAAH
SCHEMBL7467365 0.88 CA9 (0.58) CHRNA7CA9PTGS2FAAHBCL2
SCHEMBL8642428 0.88 CA9 (0.58) CHRNA7CA9KMT2AFAAHPPP1CA
SCHEMBL8923289 0.88 CA9 (0.58) CHRNA7CA9KMT2AFAAHPPP1CA
SCHEMBL3865146 0.88 PTGS2 (0.69) CHRNA7PTGS2MEN1KMT2AATM

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