SCHEMBL9201863

SCHEMBL9201863

CCOC(=O)c1cc(-c2ccc(SC)cc2)n(-c2ccccc2Cl)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.51
CHRNA7 P36544 2/20 0.50
CA9 Q16790 3/20 0.49
FAAH O00519 3/20 0.46
MARS1 P56192 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
PPARG P37231 1/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 1/20 0.44
PDE4A P27815 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
RXRA P19793 1/20 0.43
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
RPA1 P27694 1/20 0.42

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
SCHEMBL4693715 0.89 CHRNA7 (0.61) PDE4BCHRNA7CA9FAAHMARS1
SCHEMBL15456724 0.89 CA9 (0.60) PDE4BCHRNA7CA9FAAHMARS1
SCHEMBL9206389 0.85 CA9 (0.64) CHRNA7CA9FAAHGAAKMT2A
SCHEMBL9208211 0.84 CA9 (0.52) CHRNA7CA9FAAHALDH1A1GAA
SCHEMBL9207624 0.84 MARS1 (0.49) MARS1ALDH1A1KMT2ARXRANR1H2
SCHEMBL9201539 0.81 CA9 (0.70) CHRNA7CA9FAAHRPA1
SCHEMBL9206790 0.80 CHRNA7 (0.54) CHRNA7CA9FAAHMARS1ALDH1A1
SCHEMBL9205210 0.80 CHRNA7 (0.54) CHRNA7CA9FAAHMARS1ALDH1A1
SCHEMBL342100 0.80 MARS1 (0.68) CHRNA7CA9FAAHMARS1LMNA
SCHEMBL29419099 0.80 MARS1 (0.68) CHRNA7CA9FAAHMARS1LMNA

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