SCHEMBL28076404

SCHEMBL28076404

[CH2][C@@H](c1cccc(Cl)c1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC7 Q8WUI4 1/20 0.42
ACP3 P15309 1/20 0.41
S100A4 P26447 1/20 0.40
CASP6 P55212 1/20 0.39
DHODH Q02127 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TNF P01375 1/20 0.38
HSD17B2 P37059 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
PGR P06401 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
ACHE P22303 1/20 0.37

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
SCHEMBL6682844 0.77 TNF (0.44) HDAC7ACP3TNF
SCHEMBL16692506 0.75 TNF (0.50) HDAC7TNF
SCHEMBL19053750 0.74 TNF (0.44) HDAC7TNF
SCHEMBL4375119 0.72 ACP3 (0.50) ACP3MEN1KMT2AIDO1TDO2
SCHEMBL16679673 0.71 TNF (0.47) HDAC7MEN1KMT2ATNFKEAP1
SCHEMBL15842484 0.71 HDAC7 (0.47) HDAC7CASP6MEN1KMT2AACHE
SCHEMBL7494729 0.71 IDO1 (0.54) HDAC7CASP6MEN1KMT2AIDO1
SCHEMBL7494737 0.71 IDO1 (0.54) HDAC7CASP6MEN1KMT2AIDO1
SCHEMBL8914085 0.70 MEN1 (0.45) HDAC7MEN1KMT2ATNF
SCHEMBL28029483 0.69 ACP3 (0.43) ACP3MEN1KMT2A

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-105658646-A Aminoheteroaryl benzamides as kinase inhibitors 诺华股份有限公司 2016-06-08 CN disclosed