SCHEMBL29402764

SCHEMBL29402764

CCN(CC)c1ccc2c(C)cc(=O)[nH]c2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.69
GLA P06280 3/20 0.54
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
GAA P10253 2/20 0.54
TP53 P04637 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
IGLV6-57 P01721 2/20 0.54
CYP3A4 P08684 1/20 0.54
MAPK1 P28482 1/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
ATM Q13315 1/20 0.54
HIF1A Q16665 1/20 0.54
HSD17B10 Q99714 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TNKS2 Q9H2K2 5/20 0.53
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL22501754 1.00 AR (0.69) ARGLAKDM4EALDH1A1HPGD
SCHEMBL1771660 0.87 AR (0.71) ARGLAKDM4EALDH1A1HPGD
SCHEMBL28407136 0.82 AR (1.00) AR
SCHEMBL74712 0.81 AR (0.65) ARGLAKDM4EALDH1A1HPGD
SCHEMBL29379051 0.81 AR (0.65) ARGLAKDM4EALDH1A1HPGD
SCHEMBL9014074 0.77 S100B (0.47) ARGLAKDM4EALDH1A1HPGD
SCHEMBL9307979 0.75 KDM4E (0.59) GLAKDM4EALDH1A1HPGDGAA
SCHEMBL1378769 0.74 TNKS2 (0.75) ARGLAKDM4EALDH1A1HPGD
SCHEMBL2435888 0.74 AR (0.53) ARGLAKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL6403688 0.74 AR (0.50) ARGLAALDH1A1HPGDIGLV6-57

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-114127050-A Benzopyran and imidazole derivatives useful for stabilizing amyloidogenic immunoglobulin light chains 斯克利普斯研究所 2022-03-01 CN disclosed