SCHEMBL7740723

SCHEMBL7740723

CCC(C(=O)Cl)c1cc(F)cc2[nH]c(=O)n(Cc3cc(OC)c(OC)c(OC)c3)c12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 2/20 0.35
RXFP1 Q9HBX9 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ENPP1 P22413 1/20 0.35
MAPT P10636 3/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TP53 P04637 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
HPGD P15428 1/20 0.34
PDE7A Q13946 1/20 0.34

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
SCHEMBL7734767 0.81 KDM4E (0.40) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL7734611 0.78 POLB (0.40) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL7734586 0.77 ALDH1A1 (0.42) MEN1KMT2AKDM4EALDH1A1RXFP1
SCHEMBL7739420 0.73 MAPT (0.50) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL7734550 0.71 GRIN1 (0.50) MEN1KMT2AKDM4ERXFP1MAPT
SCHEMBL22753870 0.68 PDE4B (0.49) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL7739350 0.68 KDM4E (0.43) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL7739561 0.67 KDM4E (0.42) MEN1KMT2AKDM4EALDH1A1RXFP1
SCHEMBL7740373 0.66 KMT2A (0.43) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL7740710 0.65 ALDH1A1 (0.45) MEN1KMT2AKDM4EALDH1A1RXFP1

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
US-6420410-B1 ADMINISTERING N,N'-SUBSTITUTED BENZIMIDAZOL-2-ONES TO INDUCE APOPTOSIS IN NEOPLASTIC CELLS BUT NOT NORMAL CELLS; ANTICANCER, ANTITUMOR AGENT CELL PATHWAYS, INC. 2002-07-16 US disclosed