SCHEMBL9988979

SCHEMBL9988979

CCOC(=O)c1ccc(-n2nc(CCC(=O)NCc3ncccc3C)cc2-c2cccc(F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
MALT1 Q9UDY8 1/20 0.40
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALOX5 P09917 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
PANK1 Q8TE04 1/20 0.37
PANK3 Q9H999 1/20 0.37
CSNK1D P48730 1/20 0.36
THRB P10828 1/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
CHRNA7 P36544 1/20 0.36
KDM4E B2RXH2 1/20 0.36
S1PR3 Q99500 1/20 0.36

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
SCHEMBL9989144 0.89 SMN1; SMN2 (0.49) ADORA2AADORA1MALT1MAPTSMN1; SMN2
SCHEMBL9988443 0.87 NAMPT (0.44) MALT1MAPTRXRARXRBRXRG
SCHEMBL9988828 0.85 MALT1 (0.45) MALT1MAPTSMN1; SMN2ALOX5RXRA
SCHEMBL9988868 0.84 MALT1 (0.44) MALT1MAPTALOX5RXRARXRB
SCHEMBL9988364 0.84 MALT1 (0.49) MALT1ALOX5RXRARXRBRXRG
SCHEMBL9988469 0.80 RAB9A (0.40) MAPTSMN1; SMN2ALOX5RXRARXRB
SCHEMBL9988617 0.79 MALT1 (0.43) MALT1ALOX5
SCHEMBL9988457 0.78 PTGS2 (0.44) MAPTSMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL9988522 0.78 MALT1 (0.50) ADORA2AADORA1MALT1SMN1; SMN2RXRA
SCHEMBL9988491 0.77 ALDH1A1 (0.49) MAPTSMN1; SMN2NPC1RAB9AKDM4E

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