SCHEMBL28880313

SCHEMBL28880313

CCS(=O)(=O)Nc1c[c]c(Oc2ccc(F)cc2F)cc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 19/20 0.50
EP300 Q09472 2/20 0.46
BRD2 P25440 1/20 0.46
ADORA2B P29275 1/20 0.46
TSPO P30536 1/20 0.46
BRD3 Q15059 1/20 0.46
BRDT Q58F21 1/20 0.46
MAPK14 Q16539 1/20 0.45

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
SCHEMBL6730613 0.81 BRD4 (0.54) BRD4EP300BRD2ADORA2BTSPO
SCHEMBL16868381 0.79 BRD4 (0.58) BRD4EP300BRD2ADORA2BTSPO
SCHEMBL16660689 0.79 BRD4 (0.59) BRD4EP300BRD2ADORA2BTSPO
SCHEMBL16333294 0.78 BRD4 (0.57) BRD4EP300BRD2ADORA2BTSPO
SCHEMBL20159992 0.78 BRD4 (0.57) BRD4EP300BRD2ADORA2BTSPO
SCHEMBL16658392 0.76 BRD4 (0.55) BRD4EP300BRD2ADORA2BTSPO
SCHEMBL16651491 0.76 BRD4 (0.55) BRD4EP300BRD2ADORA2BTSPO
SCHEMBL16651036 0.74 BRD4 (0.48) BRD4EP300BRD2ADORA2BTSPO
SCHEMBL20160100 0.72 BRD4 (0.60) BRD4EP300BRD2ADORA2BTSPO
SCHEMBL16335743 0.72 BRD4 (0.59) BRD4EP300BRD2ADORA2BTSPO

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
CN-108558889-B Bromodomain inhibitors 赛尔基因昆蒂赛尔研究公司 2021-11-05 CN disclosed
CN-105828820-B Bromodomain inhibitors 赛尔基因昆蒂赛尔研究公司 2020-01-07 CN disclosed