SCHEMBL28258201

SCHEMBL28258201

CNC(=O)c1cccc2cc(C)oc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.54
PLK1 P53350 1/20 0.51
HSD17B10 Q99714 2/20 0.51
MRGPRX1 Q96LB2 1/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MTNR1A P48039 1/20 0.46
MAOA P21397 2/20 0.44
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
HIF1A Q16665 1/20 0.42
ERAP1 Q9NZ08 1/20 0.41
ESR1 P03372 1/20 0.41
MAPT P10636 1/20 0.41
MAPK10 P53779 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAOB P27338 1/20 0.40
AR P10275 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
SCHEMBL3306573 0.81 MAOA (0.50) CRBNHSD17B10MRGPRX1ALDH1A1KDM4E
SCHEMBL3965575 0.81 CRBN (0.48) CRBNHSD17B10MRGPRX1ALDH1A1KDM4E
SCHEMBL19857573 0.80 LCK (0.50) CRBNHSD17B10MRGPRX1ALDH1A1KDM4E
SCHEMBL2260801 0.79 CRBN (0.46) CRBNMRGPRX1ALDH1A1MAOAHPGD
SCHEMBL19437254 0.76 PIM1 (0.41) HSD17B10ALDH1A1KDM4EMAOAGAA
SCHEMBL17978294 0.76 PRKDC (0.45) PLK1HSD17B10ALDH1A1KDM4EMTNR1A
SCHEMBL3455539 0.76 NPC1 (0.60) CRBNMRGPRX1KMT2ANPC1RAB9A
SCHEMBL30088638 0.76 CRBN (0.61) CRBNMRGPRX1ALDH1A1KDM4ENPC1
SCHEMBL14401689 0.75 ALDH1A1 (0.51) CRBNMRGPRX1ALDH1A1KDM4EMAOA
SCHEMBL3306362 0.74 CXCR5 (0.62) ERAP1

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