SCHEMBL23959112

SCHEMBL23959112

Cc1ccccc1C1C(=O)Nc2cc(Br)ccc21

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
TP53 P04637 3/20 0.50
POLB P06746 1/20 0.50
PBRM1 Q86U86 3/20 0.41
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPK1 P28482 1/20 0.39
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
LMNA P02545 2/20 0.38
TNKS2 Q9H2K2 1/20 0.37
ALDH1A1 P00352 1/20 0.35
NQO2 P16083 1/20 0.35
IDO1 P14902 1/20 0.35

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
SCHEMBL29242291 0.84 MAPT (0.40) MAPTTP53POLBPBRM1CYP1A2
SCHEMBL29242336 0.79 TP53 (0.41) MAPTTP53POLBPBRM1GABRA1
SCHEMBL29242341 0.78 HAO1 (0.42) MAPTTP53POLBALDH1A1NQO2
SCHEMBL281695 0.73 RAB9A (0.48) MAPTTP53POLBMAPK1LMNA
SCHEMBL31219834 0.73 PGR (0.45) MAPTTP53POLBGABRA1GABRA5
SCHEMBL2239581 0.73 PGR (0.45) MAPTTP53POLBGABRA1GABRA5
SCHEMBL29242289 0.72 TP53 (0.49) MAPTTP53POLBCYP1A2LMNA
SCHEMBL30965337 0.72 TP53 (0.49) MAPTTP53POLBCYP1A2LMNA
SCHEMBL9802951 0.72 DDB1 (0.49) PBRM1DDB1CRBNTNKS2ALDH1A1
SCHEMBL16668782 0.72 CMA1 (0.43) MAPTTP53POLBCYP1A2MAPK1

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-2021212974-A1 RACEMIC AND CHIRAL 3-(2,3-BUTADIENYL)OXYINDOLINONE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 复旦大学 (CN) 2021-10-28 WO disclosed