SCHEMBL9199040

SCHEMBL9199040

CSc1ccc(C(=O)CC(=O)CF)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.57
PLK1 P53350 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
FLI1 Q01543 1/20 0.39
EWSR1 Q01844 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 4/20 0.37
MAPT P10636 4/20 0.37
TSHR P16473 3/20 0.37
HPGD P15428 3/20 0.37
ALOX15 P16050 3/20 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
SCHEMBL10660683 0.84 HAO1 (0.58) HAO1PLK1TAS1R3TAS1R1MMP2
SCHEMBL4842868 0.79 HAO1 (0.67) HAO1PLK1TAS1R3TAS1R1MMP2
SCHEMBL4707187 0.79 HAO1 (0.62) HAO1PLK1TAS1R3TAS1R1MMP2
SCHEMBL4032443 0.77 PLOD2 (0.64) HAO1PLK1TAS1R3TAS1R1MMP2
SCHEMBL7470538 0.77 HAO1 (0.55) HAO1PLK1TAS1R3TAS1R1MMP2
SCHEMBL17295068 0.76 HAO1 (0.58) HAO1PLK1TAS1R3TAS1R1MMP2
SCHEMBL5768900 0.76 HAO1 (0.58) HAO1PLK1TAS1R3TAS1R1MMP2
SCHEMBL275400 0.75 HAO1 (0.56) HAO1PLK1TAS1R3TAS1R1MMP2
SCHEMBL522779 0.75 KMT2A (0.67) HAO1MEN1KMT2ARAB9ANPC1
SCHEMBL6302968 0.75 HAO1 (0.56) HAO1PLK1TAS1R3TAS1R1MMP2

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