SCHEMBL10679263

SCHEMBL10679263

O=C1Nc2cc3c(cc2OC1CCCBr)CCCC3

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
GAA P10253 3/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
BRD4 O60885 5/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 2/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL10684965 0.87 L3MBTL1 (0.44) ALDH1A1GAAKMT2AMEN1BRD4
SCHEMBL10679584 0.87 L3MBTL1 (0.44) ALDH1A1GAAKMT2AMEN1BRD4
SCHEMBL10681724 0.87 L3MBTL1 (0.44) ALDH1A1GAAKMT2AMEN1BRD4
SCHEMBL7142586 0.81 PARP1 (0.44) ALDH1A1GAAKMT2AMEN1BRD4
SCHEMBL10674600 0.81 L3MBTL1 (0.39) ALDH1A1GAAKMT2AMEN1L3MBTL1
SCHEMBL10674591 0.81 L3MBTL1 (0.39) ALDH1A1GAAKMT2AMEN1L3MBTL1
SCHEMBL10676313 0.80 MAPK1 (0.39) ALDH1A1GAAKMT2AMEN1BRD4
SCHEMBL10676322 0.80 MAPK1 (0.39) ALDH1A1GAAKMT2AMEN1BRD4
SCHEMBL10676465 0.75 MEN1 (0.60) ALDH1A1GAAKMT2AMEN1MAPK1
SCHEMBL10678266 0.75 HSD17B10 (0.51) ALDH1A1GAAKMT2AMEN1BRD4

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