SCHEMBL21615134

SCHEMBL21615134

CC(C)n1ccc2cc[nH]c2c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.61
BRD9 Q9H8M2 2/20 0.61
TAF1 P21675 1/20 0.61
BRPF1 P55201 1/20 0.61
CREBBP Q92793 1/20 0.61
CECR2 Q9BXF3 1/20 0.61
BCHE P06276 2/20 0.34
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
AR P10275 1/20 0.33
KEAP1 Q14145 1/20 0.33
AHR P35869 1/20 0.32
ADORA2A P29274 2/20 0.32
PDPK1 O15530 1/20 0.32
CCR8 P51685 1/20 0.31
KAT2B Q92831 1/20 0.31
TNF P01375 1/20 0.31
RIPK1 Q13546 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL15066767 0.76 BRD4 (1.00) BRD4BRD9TAF1BRPF1CREBBP
SCHEMBL21615079 0.75 BRD4 (0.40) BRD4BRD9TAF1BRPF1CREBBP
SCHEMBL24916388 0.73 BRD4 (0.36) BRD4BRD9TAF1BRPF1CREBBP
SCHEMBL27037101 0.71 CECR2 (0.61) BRD4BRD9TAF1BRPF1CREBBP
SCHEMBL28695187 0.70 BRD4 (0.86) BRD4BRD9TAF1BRPF1CREBBP
SCHEMBL29062925 0.69 BRD4 (0.41) BRD4BRD9TAF1BRPF1CREBBP
SCHEMBL24020756 0.69 BRD4 (0.41) BRD4BRD9TAF1BRPF1CREBBP
SCHEMBL29063028 0.68 BRD4 (0.41) BRD4BRD9TAF1BRPF1CREBBP
SCHEMBL6869444 0.67 BRD4 (0.34) BRD4BRD9
SCHEMBL29482204 0.67 BRD9 (0.58) BRD4BRD9TAF1BRPF1CREBBP

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
WO-2020007322-A1 COMPOUND TARGETED TO DEGRADE BET PROTEIN AND APPLICATION THEREOF 清华大学 2020-01-09 WO disclosed