SCHEMBL2361973

SCHEMBL2361973

Clc1ccc2[nH]c(-c3ccc4[nH]c(Nc5ccc(Br)cc5)nc4c3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
TP53 P04637 3/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
MMP8 P22894 2/20 0.41
MMP13 P45452 2/20 0.41
KDR P35968 3/20 0.40
MET P08581 1/20 0.40
MAPT P10636 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
FTO Q9C0B1 1/20 0.39
NPC1 O15118 2/20 0.39

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
SCHEMBL2360806 0.85 CSNK1D (0.51) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL10380499 0.83 ALDH1A1 (0.54) MEN1KMT2AKDM4EALDH1A1TP53
SCHEMBL2362261 0.82 CHRNA7 (0.45) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL28837680 0.76 POLB (0.56) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL9032997 0.76 ALDH1A1 (0.62) MEN1KMT2AKDM4EALDH1A1TP53
SCHEMBL3337505 0.75 ALDH1A1 (0.55) MEN1KMT2AKDM4EALDH1A1TP53
SCHEMBL3335014 0.74 ALDH1A1 (0.61) MEN1KMT2AKDM4EALDH1A1TP53
SCHEMBL20982568 0.74 MMP2 (0.57) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL2893147 0.74 MEN1 (0.60) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL7450235 0.74 KDM4E (0.55) POLBMEN1KMT2AKDM4EALDH1A1

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-2011099832-A2 NOVEL BENZIMIDAZOLE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CRYSTALGENOMICS, INC. (KR) 2011-08-18 WO disclosed