SCHEMBL28694846

SCHEMBL28694846

O=C(O)c1c(C(=O)O)c2ccc(C(=O)O)c3c(C(=O)O)cc4cccc1c4c23.[KH]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CYP1A2 P05177 3/20 0.44
HSD17B10 Q99714 4/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
GLA P06280 2/20 0.43
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
CYP2C19 P33261 1/20 0.43
CDC25B P30305 2/20 0.42
GRIN2D O15399 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
PTPN1 P18031 1/20 0.41
WDR5 P61964 1/20 0.41

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
SCHEMBL29393911 0.98 KMT2A (0.45) KMT2AMEN1RXFP1CYP1A2HSD17B10
SCHEMBL10813708 0.98 KMT2A (0.45) KMT2AMEN1RXFP1CYP1A2HSD17B10
SCHEMBL28404618 0.97 KMT2A (0.44) KMT2AMEN1RXFP1CYP1A2HSD17B10
Potassium SCHEMBL30715277 0.97 KMT2A (0.44) KMT2AMEN1RXFP1CYP1A2HSD17B10
SCHEMBL28434936 0.85 KMT2A (0.41) KMT2AMEN1RXFP1CYP1A2HSD17B10
SCHEMBL4412297 0.83 CYP1A2 (0.42) KMT2AMEN1RXFP1CYP1A2HSD17B10
SCHEMBL275150 0.81 KMT2A (0.50) KMT2AMEN1RXFP1CYP1A2HSD17B10
SCHEMBL30020926 0.81 KMT2A (0.50) KMT2AMEN1RXFP1CYP1A2HSD17B10
SCHEMBL28059228 0.81 MEN1 (0.40) KMT2AMEN1RXFP1CYP1A2HSD17B10
SCHEMBL19177661 0.80 NR4A1 (0.53) KMT2AMEN1RXFP1CYP1A2HSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117402512-A Preparation method of graphene water-based paint and application of graphene water-based paint to aluminum foil 天津艾克凯胜石墨烯科技有限公司 2024-01-16 CN claimed
CN-117402512-A Preparation method of graphene water-based paint and application of graphene water-based paint to aluminum foil 天津艾克凯胜石墨烯科技有限公司 2024-01-16 CN disclosed
CN-110451564-B Preparation method of monolayer molybdenum disulfide based on substrate vulcanization pretreatment 复旦大学 2022-03-18 CN disclosed