SCHEMBL9988840

SCHEMBL9988840

Cc1cccc(CNC(=O)CCc2cc(-c3cccc(F)c3)n(-c3ccccc3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 2/20 0.52
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CACNA1G O43497 1/20 0.45
CACNA1H O95180 1/20 0.45
ALOX5 P09917 3/20 0.45
PTGS1 P23219 2/20 0.45
POLB P06746 1/20 0.45
SRC P12931 2/20 0.45
MAPT P10636 1/20 0.45
RXRA P19793 3/20 0.45
RXRB P28702 3/20 0.45
RXRG P48443 3/20 0.45
THRB P10828 1/20 0.44
TP53 P04637 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
SCHEMBL9988509 0.94 MALT1 (0.50) MALT1TSHRKMT2ARXFP1ALOX5
SCHEMBL9989721 0.93 MALT1 (0.56) MALT1RXFP1CACNA1GCACNA1HALOX5
SCHEMBL9988866 0.93 MALT1 (0.49) MALT1TSHRKMT2ARXFP1ALOX5
SCHEMBL9988479 0.93 MALT1 (0.49) MALT1TSHRKMT2ARXFP1POLB
SCHEMBL9988512 0.93 MALT1 (0.57) MALT1CACNA1GCACNA1HALOX5POLB
SCHEMBL9989423 0.92 MALT1 (0.48) MALT1TSHRKMT2ARXFP1ALOX5
SCHEMBL9989263 0.92 MALT1 (0.55) MALT1TSHRKMT2ACACNA1GCACNA1H
SCHEMBL9988903 0.91 RXRA (0.48) MALT1TSHRKMT2ARXFP1POLB
SCHEMBL9989011 0.91 RXRA (0.48) MALT1KMT2ARXFP1ALOX5PTGS1
SCHEMBL9988853 0.91 MAPT (0.48) MALT1KMT2AMAPTTP53

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

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