SCHEMBL9205261

SCHEMBL9205261

CCOC(=O)c1cc(-c2ccc(SC)cc2)n(-c2ccc(F)cc2[N+](=O)[O-])n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.52
CA9 Q16790 3/20 0.49
MAPT P10636 1/20 0.47
MITF O75030 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KCNMA1 Q12791 1/20 0.42
PTGS2 P35354 2/20 0.40
FAAH O00519 2/20 0.38
THRB P10828 1/20 0.38
MEN1 O00255 1/20 0.38
ALOX12 P18054 1/20 0.38
KMT2A Q03164 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
SLC34A1 Q06495 1/20 0.37
MARS1 P56192 1/20 0.37

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
SCHEMBL9208211 0.88 CA9 (0.52) CHRNA7CA9MITFALDH1A1SMN1; SMN2
SCHEMBL9205210 0.87 CHRNA7 (0.54) CHRNA7CA9MAPTALDH1A1SMN1; SMN2
SCHEMBL9200442 0.86 PTGS2 (0.45) CHRNA7CA9MAPTALDH1A1PTGS2
SCHEMBL9206790 0.85 CHRNA7 (0.54) CHRNA7CA9MAPTALDH1A1SMN1; SMN2
SCHEMBL9200872 0.81 CHRNA7 (0.71) CHRNA7CA9PTGS2FAAHTHRB
SCHEMBL9202688 0.81 CHRNA7 (0.71) CHRNA7CA9PTGS2FAAHTHRB
SCHEMBL9210890 0.80 CA9 (0.74) CHRNA7CA9MAPTALDH1A1SMN1; SMN2
SCHEMBL9206649 0.79 CHRNA7 (0.56) CHRNA7CA9MAPTPTGS2FAAH
SCHEMBL9278196 0.77 PTGS2 (0.45) MAPTPTGS2MARS1
SCHEMBL9201863 0.76 PDE4B (0.51) CHRNA7CA9ALDH1A1FAAHKMT2A

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