SCHEMBL9988397

SCHEMBL9988397

COc1ccc(-n2nc(CCC(=O)NCc3ccccc3F)cc2-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.56
CACNA1H O95180 1/20 0.56
RXRA P19793 1/20 0.54
RXRB P28702 1/20 0.54
RXRG P48443 1/20 0.54
MALT1 Q9UDY8 2/20 0.52
ALOX5 P09917 2/20 0.52
PTGS2 P35354 2/20 0.52
RPA1 P27694 1/20 0.51
RAB9A P51151 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
CCKAR P32238 8/20 0.48
TDP1 Q9NUW8 1/20 0.48
FABP3 P05413 1/20 0.46
FABP4 P15090 1/20 0.46
PTGS1 P23219 2/20 0.45

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
SCHEMBL9988571 0.95 ALOX5 (0.52) CACNA1GCACNA1HRXRARXRBRXRG
SCHEMBL9988568 0.94 RXRA (0.52) CACNA1GCACNA1HRXRARXRBRXRG
SCHEMBL9990003 0.94 CCKAR (0.54) CACNA1GCACNA1HRXRARXRBRXRG
SCHEMBL9988542 0.91 ALDH1A1 (0.49) CACNA1GCACNA1HRXRARXRBRXRG
SCHEMBL9989126 0.90 RXRA (0.55) RXRARXRBRXRGMALT1ALOX5
SCHEMBL9988340 0.89 RXRA (0.59) RXRARXRBRXRGMALT1ALOX5
SCHEMBL9989355 0.88 MALT1 (0.62) CACNA1GCACNA1HRXRARXRBRXRG
SCHEMBL9988534 0.87 MALT1 (0.55) RXRARXRBRXRGMALT1ALOX5
SCHEMBL9989546 0.87 MALT1 (0.55) RXRARXRBRXRGMALT1ALOX5
SCHEMBL9988516 0.87 RXRA (0.48) CACNA1GCACNA1HRXRARXRBRXRG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011161615-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-12-29 WO disclosed