SCHEMBL3372771

SCHEMBL3372771

O=C(Cn1c(OC(=O)Nc2ccc(N3CCS(=O)(=O)CC3)cc2)nc2ccccc21)Nc1ccc(Cl)cn1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.51
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
DEGS1 O15121 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL1381239 0.86 F10 (0.67) F10ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3373371 0.85 F10 (0.56) F10ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3371388 0.85 F10 (0.51) F10ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3372955 0.82 F10 (0.50) F10ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3368156 0.82 F10 (0.50) F10ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3369686 0.81 F10 (0.76) F10ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3369053 0.81 F10 (0.57) F10ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3372965 0.74 F10 (0.66) F10
SCHEMBL3367502 0.73 F10 (0.48) F10
SCHEMBL1384352 0.71 F10 (0.68) F10ALDH1A1MEN1KMT2AKDM4E

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
EP-1636216-B1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2010-07-21 EP claimed