SCHEMBL14583265

SCHEMBL14583265

COC(=O)c1ccc2c(c1)NC1=C(C(=O)CC(C)(C)C1)C(c1ccc(Cl)cc1Cl)N2C=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HSD17B10 Q99714 3/20 0.46
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
CASP1 P29466 1/20 0.40
HTT P42858 1/20 0.40
KLK7 P49862 1/20 0.40
CASP7 P55210 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
CA4 P22748 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
SCHEMBL4287151 0.88 MEN1 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL14582943 0.83 SMN1; SMN2 (0.53) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL4287200 0.83 MEN1 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL14583107 0.82 MEN1 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL14107074 0.80 KMT2A (0.42) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL14107075 0.80 KMT2A (0.42) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL14107073 0.80 KMT2A (0.42) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL13704081 0.80 MEN1 (0.62) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL13704082 0.80 MEN1 (0.68) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL14583092 0.80 MEN1 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10

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-2007026024-A2 BENZODIAZEPINES AS HCV INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-03-08 WO disclosed