SCHEMBL30977967

SCHEMBL30977967

CC(C)N1c2cc(Br)ccc2NC(=O)[C@H]1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
BRD4 O60885 2/20 0.37
MAPT P10636 3/20 0.36
TP53 P04637 3/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 2/20 0.35
PKM P14618 1/20 0.35
NQO2 P16083 1/20 0.35
TGM2 P21980 1/20 0.35
CES1 P23141 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
HBB P68871 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL23662304 1.00 GABRA1 (0.39) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL23662296 0.75 BRD4 (0.52) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL23662233 0.75 HTR2A (0.32) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL15825941 0.73 BRD4 (0.47) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL15825879 0.72 BRD4 (0.47) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL30977968 0.72 BRD4 (0.55) BRD4
SCHEMBL15825219 0.71 BRD4 (0.44) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL15837318 0.71 BRD4 (0.44) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL15825403 0.70 BRD4 (0.45) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL15825251 0.69 TP53 (0.36) GABRA1GABRA5GABRA3GABRA2GABRB2

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-118373809-A Quinoxalinone compound and preparation method, pharmaceutical composition and application thereof 徐州医科大学 2024-07-23 CN disclosed