SCHEMBL9201591

SCHEMBL9201591

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

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 3/20 0.61
CHRNA7 P36544 2/20 0.59
FAAH O00519 3/20 0.49
PDE4D Q08499 1/20 0.49
RPA1 P27694 1/20 0.47
BCL2 P10415 2/20 0.46
MDM2 Q00987 2/20 0.46
MCL1 Q07820 2/20 0.46
PTGS2 P35354 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MGLL Q99685 1/20 0.44
PTGS1 P23219 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
PPP1CA P62136 1/20 0.43

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
SCHEMBL9201539 0.91 CA9 (0.70) CA9CHRNA7FAAHRPA1BCL2
SCHEMBL8922808 0.89 CA9 (0.59) CA9CHRNA7FAAHBCL2MDM2
SCHEMBL9200872 0.89 CHRNA7 (0.71) CA9CHRNA7FAAHBCL2MDM2
SCHEMBL9202688 0.89 CHRNA7 (0.71) CA9CHRNA7FAAHBCL2MDM2
SCHEMBL9206389 0.89 CA9 (0.64) CA9CHRNA7FAAHRPA1BCL2
SCHEMBL9203290 0.89 CA9 (0.76) CA9CHRNA7FAAHPDE4DRPA1
SCHEMBL7467365 0.88 CA9 (0.58) CA9CHRNA7FAAHPDE4DRPA1
SCHEMBL8923289 0.88 CA9 (0.58) CA9CHRNA7FAAHRPA1BCL2
SCHEMBL8642428 0.88 CA9 (0.58) CA9CHRNA7FAAHBCL2MDM2
Hydrochloric Acid SCHEMBL9209971 0.87 CA9 (0.56) CA9CHRNA7FAAHBCL2MDM2

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