SCHEMBL13077026

SCHEMBL13077026

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ KDM4E B2RXH2 3/20 0.53
▸ TSHR P16473 3/20 0.53
▸ LMNA P02545 2/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ CDK5 Q00535 1/20 0.53
▸ CDK5R1 Q15078 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ MAP3K7 O43318 1/20 0.51
▸ ITK Q08881 11/20 0.50
▸ INSR P06213 4/20 0.50
▸ EGFR P00533 1/20 0.49
▸ FGFR1 P11362 1/20 0.49
▸ KDR P35968 1/20 0.49
▸ CLK2 P49760 1/20 0.47

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
SCHEMBL19236089 0.91 ITK (0.53) MEN1KMT2AKDM4ETSHRLMNA
SCHEMBL3799966 0.91 MEN1 (0.52) MEN1KMT2AKDM4ETSHRLMNA
SCHEMBL13076398 0.91 ITK (0.53) MEN1KMT2AKDM4ETSHRLMNA
SCHEMBL3803908 0.90 KDM4E (0.59) MEN1KMT2AKDM4ETSHRLMNA
SCHEMBL13076794 0.90 MEN1 (0.51) MEN1KMT2AKDM4ETSHRLMNA
SCHEMBL3799346 0.88 MEN1 (0.56) MEN1KMT2AKDM4ETSHRLMNA
SCHEMBL3801292 0.87 KDM4E (0.69) MEN1KMT2AKDM4ETSHRLMNA
SCHEMBL13076790 0.87 ITK (0.49) MEN1KMT2AKDM4ETSHRLMNA
SCHEMBL3796176 0.87 KDM4E (0.56) MEN1KMT2AKDM4ETSHRLMNA
SCHEMBL3792655 0.87 MAP3K7 (0.57) MEN1KMT2AKDM4ETSHRLMNA

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
Send feedback