SCHEMBL10683271

SCHEMBL10683271

O=C1Nc2cc(C(F)(F)F)ccc2OC1CCCBr

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
MAPK1 P28482 1/20 0.43
USP2 O75604 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.37
JUN P05412 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
ALOX15 P16050 1/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL7469309 0.85 L3MBTL1 (0.59) L3MBTL1MAPK1USP2HSD17B10MAPT
SCHEMBL10678266 0.81 HSD17B10 (0.51) L3MBTL1MAPK1USP2HSD17B10MAPT
SCHEMBL7464304 0.78 L3MBTL1 (0.42) L3MBTL1MAPK1USP2HSD17B10MAPT
SCHEMBL10679574 0.78 HSD17B10 (0.49) L3MBTL1MAPK1USP2HSD17B10MAPT
SCHEMBL9155928 0.77 PARP1 (0.51) MAPK1USP2HSD17B10MAPTGAA
SCHEMBL10676692 0.75 HTR7 (0.52) MAPK1USP2HSD17B10MAPTHTT
SCHEMBL17027157 0.74 BRD4 (0.54) L3MBTL1MAPK1USP2HSD17B10MAPT
SCHEMBL7000081 0.74 PARP1 (0.55) ACE2JUNNFKB1NFKB2RELA
SCHEMBL10679263 0.72 ALDH1A1 (0.39) L3MBTL1MAPK1USP2MAPTGAA
SCHEMBL4971050 0.71 BRD4 (0.44) USP2HSD17B10MAPTHTTACE2

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