SCHEMBL3799856

SCHEMBL3799856

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.56
▸ KMT2A Q03164 8/20 0.56
▸ KDM4E B2RXH2 7/20 0.56
▸ TSHR P16473 5/20 0.56
▸ ALDH1A1 P00352 4/20 0.56
▸ HSD17B10 Q99714 4/20 0.56
▸ NPSR1 Q6W5P4 4/20 0.56
▸ LMNA P02545 3/20 0.56
▸ HTT P42858 2/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ CDK5 Q00535 1/20 0.56
▸ CDK5R1 Q15078 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ MAP3K7 O43318 1/20 0.55
▸ EGFR P00533 2/20 0.52
▸ FGFR1 P11362 2/20 0.52
▸ KDR P35968 2/20 0.52
▸ HPGD P15428 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ CLK2 P49760 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
SCHEMBL13076229 0.93 MAP3K7 (0.66) MEN1KMT2AKDM4ETSHRALDH1A1
SCHEMBL3799346 0.93 MEN1 (0.56) MEN1KMT2AKDM4ETSHRALDH1A1
SCHEMBL3801292 0.91 KDM4E (0.69) MEN1KMT2AKDM4ETSHRALDH1A1
SCHEMBL3796183 0.90 KDM4E (0.55) MEN1KMT2AKDM4ETSHRALDH1A1
SCHEMBL13076403 0.89 KDM4E (0.51) MEN1KMT2AKDM4ETSHRALDH1A1
SCHEMBL3803908 0.88 KDM4E (0.59) MEN1KMT2AKDM4ETSHRALDH1A1
SCHEMBL3798557 0.87 KDM4E (0.52) MEN1KMT2AKDM4ETSHRALDH1A1
SCHEMBL3796176 0.85 KDM4E (0.56) MEN1KMT2AKDM4ETSHRALDH1A1
SCHEMBL3800980 0.85 KDM4E (0.56) MEN1KMT2AKDM4ETSHRALDH1A1
SCHEMBL3792655 0.85 MAP3K7 (0.57) MEN1KMT2AKDM4ETSHRALDH1A1

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