SCHEMBL28582091

SCHEMBL28582091

CC(C)(C)C1CNc2cc(Br)ccc2N1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.34
MYC P01106 1/20 0.34
NR4A1 P22736 1/20 0.34
AR P10275 1/20 0.32
BRD4 O60885 2/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 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
SCHEMBL16721417 0.82 PDK1 (0.37) RBP4MYCNR4A1ARBRD4
SCHEMBL26089261 0.81 EPHX2 (0.39) BRD4MEN1KMT2ACRHBPCRHR2
SCHEMBL14321151 0.77 PDK1 (0.39) RBP4MYCNR4A1BRD4MEN1
SCHEMBL16721158 0.74 NOTUM (0.40) BRD4MEN1KMT2APDK1PDK2
SCHEMBL16721159 0.74 NOTUM (0.40) BRD4MEN1KMT2APDK1PDK2
SCHEMBL29014075 0.74 LMNA (0.38) RBP4MYCNR4A1BRD4MEN1
SCHEMBL16722313 0.73 AR (0.36) RBP4MYCNR4A1ARMEN1
SCHEMBL16722311 0.73 AR (0.36) RBP4MYCNR4A1ARMEN1
SCHEMBL16722722 0.71 HTT (0.35) RBP4BRD4MEN1KMT2APDK1
SCHEMBL16721384 0.71 HSD17B3 (0.38) BRD4MEN1KMT2APDK1PDK2

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-112839931-A 1,2,3, 4-tetrahydroquinoxaline derivative and preparation method and application thereof 上海和誉生物医药科技有限公司 2021-05-25 CN disclosed