SCHEMBL9988484

SCHEMBL9988484

Cc1cccc(CNC(=O)CCc2cc(-c3cccc(F)c3)n(-c3ccc(C(=O)O)cc3)n2)n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 5/20 0.47
RXRA P19793 4/20 0.42
RXRB P28702 4/20 0.42
RXRG P48443 4/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
THRB P10828 1/20 0.40
ILK Q13418 1/20 0.39
EPHX2 P34913 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL9988522 0.87 MALT1 (0.50) MALT1RXRARXRBRXRGHPGD
SCHEMBL9989017 0.87 MALT1 (0.53) MALT1RXRARXRBRXRGMMP13
SCHEMBL9988866 0.86 MALT1 (0.49) MALT1RXRARXRBRXRGALDH1A1
SCHEMBL9988495 0.84 MALT1 (0.49) MALT1RXRARXRBRXRGILK
SCHEMBL9988915 0.84 CA1 (0.47) MALT1RXRARXRBRXRGALDH1A1
SCHEMBL9988478 0.83 MALT1 (0.56) MALT1RXRARXRBRXRGTHRB
SCHEMBL9990171 0.82 MALT1 (0.50) MALT1RXRARXRBRXRGMMP13
SCHEMBL9989263 0.81 MALT1 (0.55) MALT1RXRARXRBRXRGALDH1A1
SCHEMBL9988512 0.80 MALT1 (0.57) MALT1RXRARXRBRXRGTHRB
SCHEMBL9989144 0.80 SMN1; SMN2 (0.49) MALT1ALDH1A1HPGDTHRBKMT2A

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