SCHEMBL28258232

SCHEMBL28258232

CNC(=O)c1cccc2c(Br)c(C)oc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 3/20 0.50
ERAP1 Q9NZ08 2/20 0.44
GAA P10253 2/20 0.41
ESR1 P03372 1/20 0.40
MAPT P10636 1/20 0.40
MAPK10 P53779 1/20 0.40
KMT2A Q03164 1/20 0.40
MTNR1A P48039 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 1/20 0.38
HIF1A Q16665 1/20 0.38
BRD4 O60885 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
HDAC8 Q9BY41 2/20 0.37
MMP3 P08254 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
AR P10275 1/20 0.36
KDM4E B2RXH2 2/20 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
SCHEMBL3965291 0.84 KMT2A (0.44) ERAP1MAPTKMT2AALDH1A1HPGD
SCHEMBL28259937 0.84 CYSLTR1 (0.43) ERAP1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL3967537 0.84 GAA (0.41) PLK1ERAP1GAAMAPTKMT2A
SCHEMBL3966563 0.82 ESR1 (0.40) ERAP1ESR1MAPTMAPK10KMT2A
SCHEMBL19437307 0.77 TPMT (0.36) GAAMAPTKMT2AALDH1A1HPGD
SCHEMBL3966568 0.77 ERAP1 (0.34) ERAP1GAAMAPTKMT2AHSD17B10
SCHEMBL19456379 0.76 KDM4E (0.33) GAAMAPTKMT2AALDH1A1HPGD
SCHEMBL27944839 0.73 PLK1 (0.50) PLK1GAAMTNR1AALDH1A1HPGD
SCHEMBL7823701 0.73 MEN1 (0.43) GAAKMT2AALDH1A1HPGDHSD17B10
SCHEMBL19437420 0.72 KMT2A (0.41) GAAMAPTKMT2AALDH1A1HPGD

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
CN-108884083-A Benzo [ B ] furans as bromodomain inhibitors 葛兰素史克知识产权第二有限公司 2018-11-23 CN disclosed