SCHEMBL28048356

SCHEMBL28048356

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.44
ACACA Q13085 1/20 0.44
PRKCZ Q05513 1/20 0.40
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
APEX1 P27695 1/20 0.35
EGLN1 Q9GZT9 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
PTGES O14684 1/20 0.33
MAPT P10636 1/20 0.33
MME P08473 1/20 0.33
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
CHEK1 O14757 1/20 0.32
GPR84 Q9NQS5 1/20 0.32

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
SCHEMBL158112 0.87 ACACB (0.45) ACACBACACAPRKCZKDM4EKMT2A
SCHEMBL8848140 0.86 ACACB (0.44) ACACBACACAPRKCZKDM4EKMT2A
Hydrochloric Acid SCHEMBL4437775 0.85 ACACB (0.44) ACACBACACAPRKCZKDM4EKMT2A
SCHEMBL14855501 0.84 ACACB (0.43) ACACBACACAPRKCZKDM4EKMT2A
SCHEMBL3707018 0.84 ACACB (0.43) ACACBACACAKDM4EKMT2AALDH1A1
SCHEMBL159894 0.84 ACACB (0.43) ACACBACACAPRKCZKDM4EKMT2A
Hydrochloric Acid SCHEMBL14775596 0.83 ACACB (0.42) ACACBACACAPRKCZKDM4EKMT2A
SCHEMBL1918060 0.80 ACACB (0.41) ACACBACACAPRKCZKDM4EKMT2A
SCHEMBL1919435 0.78 ACACB (0.40) ACACBACACAPRKCZALDH1A1MAPK1
SCHEMBL1919470 0.78 MME (0.45) ACACBACACAALDH1A1MMEPARP1

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
CN-105237457-A Preparation method for 2-n-propyl-4-methyl-6-(1-methylbenzimidazole-2-yl)benzimidazole WEITE HUNAN PHARMACEUTICAL CO LTD 2016-01-13 CN disclosed