SCHEMBL30115280

SCHEMBL30115280

COc1ccc2c(c1)[nH]c1ccccc12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.79
ALDH1A1 P00352 4/20 0.79
MAPT P10636 3/20 0.79
KMT2A Q03164 3/20 0.79
HSD17B10 Q99714 3/20 0.79
MEN1 O00255 2/20 0.79
HPGD P15428 2/20 0.79
KIF11 P52732 6/20 0.67
ABCG2 Q9UNQ0 2/20 0.65
TSHR P16473 1/20 0.62
GFER P55789 1/20 0.62
GABRP O00591 1/20 0.61
GABRD O14764 1/20 0.61
GABRA1 P14867 1/20 0.61
GABRB1 P18505 1/20 0.61
GABRG2 P18507 1/20 0.61
GABRB3 P28472 1/20 0.61
GABRA5 P31644 1/20 0.61
GABRA3 P34903 1/20 0.61
GABRA2 P47869 1/20 0.61

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
SCHEMBL1181326 1.00 KDM4E (0.79) KDM4EALDH1A1MAPTKMT2AHSD17B10
SCHEMBL29670412 1.00 KDM4E (0.79) KDM4EALDH1A1MAPTKMT2AHSD17B10
Oxirane SCHEMBL28742364 0.92 KDM4E (0.68) KDM4EALDH1A1MAPTKMT2AHSD17B10
SCHEMBL29533596 0.90 KDM4E (0.68) KDM4EALDH1A1MAPTKMT2AHSD17B10
SCHEMBL2330779 0.90 KDM4E (0.68) KDM4EALDH1A1MAPTKMT2AHSD17B10
SCHEMBL28104195 0.90 ABCG2 (0.82) KDM4EALDH1A1MAPTKMT2AHSD17B10
SCHEMBL29643258 0.89 ALDH1A1 (1.00) KDM4EALDH1A1MAPTKMT2AHSD17B10
SCHEMBL29562964 0.89 ALDH1A1 (1.00) KDM4EALDH1A1MAPTKMT2AHSD17B10
SCHEMBL532262 0.89 ALDH1A1 (1.00) KDM4EALDH1A1MAPTKMT2AHSD17B10
SCHEMBL31219029 0.87 KDM4E (0.62) KDM4EALDH1A1MAPTKMT2AHSD17B10

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-119059958-A Method for aryl debromination acylation of bromobenzazepine compounds 上海沃凯生物技术有限公司 2024-12-03 CN disclosed
CN-115477676-A Organic electroluminescent material and device 环球展览公司 2022-12-16 CN disclosed