SCHEMBL9201539

SCHEMBL9201539

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

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 3/20 0.70
CHRNA7 P36544 2/20 0.59
PPP1CA P62136 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
FAAH O00519 3/20 0.52
MGLL Q99685 1/20 0.52
SMPD1 P17405 1/20 0.51
MAPT P10636 1/20 0.50
PTGS2 P35354 2/20 0.48
RPA1 P27694 1/20 0.48
BCL2 P10415 2/20 0.47
MDM2 Q00987 2/20 0.47
MCL1 Q07820 2/20 0.47
ALOX5 P09917 1/20 0.46
PTGS1 P23219 1/20 0.46

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
SCHEMBL9201591 0.91 CA9 (0.61) CA9CHRNA7PPP1CASMN1; SMN2FAAH
SCHEMBL9200872 0.91 CHRNA7 (0.71) CA9CHRNA7PPP1CAFAAHPTGS2
SCHEMBL9202688 0.91 CHRNA7 (0.71) CA9CHRNA7PPP1CAFAAHPTGS2
SCHEMBL9206389 0.91 CA9 (0.64) CA9CHRNA7FAAHMGLLMAPT
SCHEMBL7467365 0.90 CA9 (0.58) CA9CHRNA7FAAHPTGS2RPA1
SCHEMBL8642428 0.90 CA9 (0.58) CA9CHRNA7PPP1CASMN1; SMN2FAAH
SCHEMBL8923289 0.90 CA9 (0.58) CA9CHRNA7PPP1CASMN1; SMN2FAAH
SCHEMBL8922808 0.89 CA9 (0.59) CA9CHRNA7SMN1; SMN2FAAHMGLL
Hydrochloric Acid SCHEMBL9209971 0.89 CA9 (0.56) CA9CHRNA7FAAHMGLLMAPT
SCHEMBL3866686 0.88 SMPD1 (0.56) CA9CHRNA7PPP1CASMN1; SMN2SMPD1

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