SCHEMBL13076210

SCHEMBL13076210

CCCn1c(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)nc2cc(NC(=O)OC(C)(C)C)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.51
▸ MEN1 O00255 6/20 0.51
▸ KMT2A Q03164 6/20 0.51
▸ TSHR P16473 5/20 0.51
▸ HSD17B10 Q99714 4/20 0.51
▸ NPSR1 Q6W5P4 4/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ LMNA P02545 3/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ CDK5 Q00535 1/20 0.51
▸ CDK5R1 Q15078 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ MAP3K7 O43318 1/20 0.49
▸ F2 P00734 2/20 0.49
▸ EGFR P00533 2/20 0.47
▸ FGFR1 P11362 2/20 0.47
▸ KDR P35968 2/20 0.47
▸ KAT6A Q92794 1/20 0.46
▸ CLK2 P49760 1/20 0.46

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
SCHEMBL3803908 0.91 KDM4E (0.59) KDM4EMEN1KMT2ATSHRHSD17B10
SCHEMBL13077193 0.90 KDM4E (0.51) KDM4EMEN1KMT2ATSHRHSD17B10
SCHEMBL3796176 0.88 KDM4E (0.56) KDM4EMEN1KMT2ATSHRHSD17B10
SCHEMBL3800980 0.88 KDM4E (0.56) KDM4EMEN1KMT2ATSHRHSD17B10
SCHEMBL13076790 0.87 ITK (0.49) KDM4EMEN1KMT2ATSHRHSD17B10
SCHEMBL3799346 0.85 MEN1 (0.56) KDM4EMEN1KMT2ATSHRHSD17B10
SCHEMBL13076403 0.85 KDM4E (0.51) KDM4EMEN1KMT2ATSHRHSD17B10
SCHEMBL3801292 0.85 KDM4E (0.69) KDM4EMEN1KMT2ATSHRHSD17B10
SCHEMBL13076789 0.85 MAP3K7 (0.67) KDM4EMEN1KMT2ATSHRHSD17B10
SCHEMBL3792655 0.85 MAP3K7 (0.57) KDM4EMEN1KMT2ATSHRHSD17B10

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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