SCHEMBL7405341

SCHEMBL7405341

COC(=O)c1cc(Br)c(N)c(N)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.46
KDM4E B2RXH2 6/20 0.44
POLB P06746 2/20 0.44
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 3/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
GLA P06280 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
CFTR P13569 2/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
CA5A P35218 1/20 0.41
ABL1 P00519 1/20 0.41
SOS1 Q07889 1/20 0.41
CA12 O43570 2/20 0.41
CA7 P43166 2/20 0.41

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
SCHEMBL31056880 0.85 KDM4E (0.51) GAAKDM4EPOLBALDH1A1HSD17B10
SCHEMBL7404397 0.80 GAA (0.42) GAAKDM4EPOLBALDH1A1HSD17B10
SCHEMBL21955060 0.79 GAA (0.50) GAAKDM4EPOLBALDH1A1HSD17B10
SCHEMBL31743304 0.79 GAA (0.50) GAAKDM4EPOLBALDH1A1HSD17B10
SCHEMBL7413037 0.79 GAA (0.54) GAAKDM4EPOLBALDH1A1HSD17B10
SCHEMBL24820036 0.78 SOS1 (0.48) GAAKDM4EPOLBALDH1A1HSD17B10
SCHEMBL5924266 0.78 KDM4E (0.50) GAAKDM4EPOLBALDH1A1HSD17B10
SCHEMBL20328549 0.77 KDM4E (0.42) GAAKDM4EPOLBALDH1A1HSD17B10
SCHEMBL17201278 0.76 SOS1 (0.42) GAAKDM4EPOLBALDH1A1MAPT
SCHEMBL29562450 0.76 KDM4E (0.49) GAAKDM4EPOLBALDH1A1HSD17B10

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
US-4935511-A Nervous system, gastrointestinal disorders RORER PHARMACEUTICAL CORPORATION (US) 1990-06-19 US disclosed