SCHEMBL13076229

SCHEMBL13076229

CCCn1c(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)nc2ccc(C(N)=O)cc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K7 O43318 1/20 0.66
▸ KDM4E B2RXH2 8/20 0.57
▸ MEN1 O00255 6/20 0.57
▸ KMT2A Q03164 6/20 0.57
▸ TSHR P16473 5/20 0.57
▸ NPSR1 Q6W5P4 5/20 0.57
▸ HSD17B10 Q99714 4/20 0.57
▸ ALDH1A1 P00352 4/20 0.57
▸ LMNA P02545 3/20 0.57
▸ HTT P42858 2/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ TDP1 Q9NUW8 2/20 0.57
▸ CDK5 Q00535 1/20 0.57
▸ CDK5R1 Q15078 1/20 0.57
▸ HPGD P15428 3/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ CLK2 P49760 1/20 0.51
▸ CDK9 P50750 1/20 0.51
▸ MST1R Q04912 1/20 0.51
▸ CLK4 Q9HAZ1 1/20 0.51

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
SCHEMBL3799856 0.93 MEN1 (0.56) MAP3K7KDM4EMEN1KMT2ATSHR
SCHEMBL3801292 0.91 KDM4E (0.69) MAP3K7KDM4EMEN1KMT2ATSHR
SCHEMBL3796183 0.88 KDM4E (0.55) MAP3K7KDM4EMEN1KMT2ATSHR
SCHEMBL13076403 0.88 KDM4E (0.51) MAP3K7KDM4EMEN1KMT2ATSHR
SCHEMBL3803908 0.87 KDM4E (0.59) MAP3K7KDM4EMEN1KMT2ATSHR
SCHEMBL3799346 0.86 MEN1 (0.56) MAP3K7KDM4EMEN1KMT2ATSHR
SCHEMBL3792655 0.85 MAP3K7 (0.57) MAP3K7KDM4EMEN1KMT2ATSHR
SCHEMBL3798557 0.85 KDM4E (0.52) MAP3K7KDM4EMEN1KMT2ATSHR
SCHEMBL3799820 0.84 IRAK4 (0.67) MAP3K7KDM4EMEN1KMT2ATSHR
SCHEMBL3800980 0.84 KDM4E (0.56) MAP3K7KDM4EMEN1KMT2ATSHR

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-2010126922-A1 BENZIMIDAZOLECARBOXAMIDES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC (US) 2010-11-04 — — WO disclosed
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