SCHEMBL9988495

SCHEMBL9988495

O=C(CCc1cc(-c2cccc(F)c2)n(-c2ccc(C(=O)O)cc2)n1)NCc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 2/20 0.49
RXRA P19793 3/20 0.43
RXRB P28702 3/20 0.43
RXRG P48443 3/20 0.43
NAMPT P43490 2/20 0.40
CACNA1G O43497 1/20 0.40
CACNA1H O95180 1/20 0.40
PTGER4 P35408 2/20 0.40
ILK Q13418 1/20 0.40
DGAT2 Q96PD7 1/20 0.40
SELL P14151 1/20 0.39
SELP P16109 1/20 0.39
SELE P16581 1/20 0.39
MMP13 P45452 2/20 0.39
CCR1 P32246 1/20 0.39
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
HDAC1 Q13547 1/20 0.39
SLC16A3 O15427 1/20 0.39

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
SCHEMBL9989017 0.92 MALT1 (0.53) MALT1RXRARXRBRXRGCACNA1G
SCHEMBL9988443 0.88 NAMPT (0.44) MALT1RXRARXRBRXRGNAMPT
SCHEMBL9988478 0.88 MALT1 (0.56) MALT1RXRARXRBRXRGMMP13
SCHEMBL9988866 0.88 MALT1 (0.49) MALT1RXRARXRBRXRGMMP13
SCHEMBL9988512 0.87 MALT1 (0.57) MALT1RXRARXRBRXRGCACNA1G
SCHEMBL9988522 0.87 MALT1 (0.50) MALT1RXRARXRBRXRGDGAT2
SCHEMBL9990171 0.86 MALT1 (0.50) MALT1RXRARXRBRXRGPTGER4
SCHEMBL9989263 0.85 MALT1 (0.55) MALT1RXRARXRBRXRGCACNA1G
SCHEMBL9988484 0.84 MALT1 (0.47) MALT1RXRARXRBRXRGILK
SCHEMBL9989721 0.84 MALT1 (0.56) MALT1RXRARXRBRXRGCACNA1G

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