SCHEMBL10679574

SCHEMBL10679574

COc1ccc2c(c1)NC(=O)C(CCCBr)O2

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.49
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
USP2 O75604 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 3/20 0.42
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.39
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
AR P10275 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL7468450 0.85 L3MBTL1 (0.62) HSD17B10KMT2AMEN1USP2GAA
SCHEMBL26654694 0.83 HSD17B10 (0.54) HSD17B10KMT2AMEN1USP2GAA
SCHEMBL26654751 0.82 HSD17B10 (0.53) HSD17B10KMT2AMEN1USP2GAA
SCHEMBL10678266 0.81 HSD17B10 (0.51) HSD17B10KMT2AMEN1USP2GAA
SCHEMBL7475254 0.79 HSD17B10 (0.46) HSD17B10KMT2AMEN1USP2GAA
SCHEMBL10683271 0.78 L3MBTL1 (0.43) HSD17B10KMT2AMEN1USP2GAA
SCHEMBL9155928 0.77 PARP1 (0.51) HSD17B10KMT2AMEN1USP2GAA
SCHEMBL26654821 0.77 HSD17B10 (0.47) HSD17B10KMT2AMEN1USP2GAA
SCHEMBL30665888 0.76 PARP1 (0.57) HSD17B10KMT2AMEN1USP2GAA
SCHEMBL293466 0.76 PARP1 (0.57) HSD17B10KMT2AMEN1USP2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4789675-A HYPOTENSIVE, ANTIISCHEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-12-06 US disclosed
EP-0233728-A1 1,4-Benzoxazine derivatives their production and use Takeda Chemical Industries, Ltd. (JP) 1987-08-26 EP disclosed