SCHEMBL27809455

SCHEMBL27809455

CCCc1nc2c(C)cc(NC=O)cc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
PTGES O14684 2/20 0.33
PRKCZ Q05513 1/20 0.32
NTRK1 P04629 1/20 0.32
MAPT P10636 2/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.30
TLR8 Q9NR97 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL3712698 0.79 KMT2A (0.38) KMT2AKDM4EACACBACACAPRKCZ
SCHEMBL19342748 0.76 KDM4E (0.44) KMT2AKDM4EACACBACACAPRKCZ
SCHEMBL28080901 0.76 ACACB (0.36) KMT2AKDM4EACACBACACAPRKCZ
SCHEMBL1918148 0.74 EGLN1 (0.40) KMT2AKDM4EACACBACACAPRKCZ
SCHEMBL9754820 0.73 KMT2A (0.37) KMT2AKDM4EACACBACACAMAPT
SCHEMBL158112 0.72 ACACB (0.45) KMT2AKDM4EACACBACACAPRKCZ
SCHEMBL14855819 0.72 KMT2A (0.35) KMT2AKDM4EACACBACACAPRKCZ
SCHEMBL14855501 0.72 ACACB (0.43) KMT2AKDM4EACACBACACAPTGES
SCHEMBL159894 0.72 ACACB (0.43) KMT2AKDM4EACACBACACAPTGES
SCHEMBL3640946 0.71 ACACB (0.36) KMT2AKDM4EACACBACACAPRKCZ

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101781256-B Method for preparing 4-methyl-2-propyl-1H-benzimidazole-6-formamide compound BEIJING INSTITUTE OF TECHNOLOGY (CN) 2011-12-07 CN disclosed
CN-101781256-B Method for preparing 4-methyl-2-propyl-1H-benzimidazole-6-formamide compound BEIJING INSTITUTE OF TECHNOLOGY (CN) 2011-12-07 CN disclosed
CN-101781256-A Method for preparing 4-methyl-2-propyl-1H-benzimidazole-6-formamide compound BEIJING INST TECHNOLOGY 2010-07-21 CN disclosed
CN-101781256-A Method for preparing 4-methyl-2-propyl-1H-benzimidazole-6-formamide compound BEIJING INST TECHNOLOGY 2010-07-21 CN disclosed