SCHEMBL28620116

SCHEMBL28620116

Cc1[nH]c2ccccc2c1C1=C(Cl)C(=O)C(Cl)=C(Cl)C1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
CCR6 P51684 1/20 0.49
HKDC1 Q2TB90 1/20 0.49
HTT P42858 3/20 0.46
IMPDH2 P12268 1/20 0.46
AHR P35869 1/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 2/20 0.43
GLA P06280 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC2A1 P11166 1/20 0.43
CYP1A2 P05177 3/20 0.42

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
SCHEMBL28615232 0.86 LMNA (0.43) LMNACCR6HKDC1HTTIMPDH2
SCHEMBL28624008 0.86 LMNA (0.43) LMNACCR6HKDC1HTTIMPDH2
SCHEMBL28616025 0.84 LMNA (0.49) LMNACCR6HKDC1HTTIMPDH2
SCHEMBL28620632 0.84 LMNA (0.49) LMNACCR6HKDC1HTTIMPDH2
SCHEMBL28627378 0.83 LMNA (0.49) LMNACCR6HKDC1HTTIMPDH2
SCHEMBL28619465 0.83 LMNA (0.49) LMNACCR6HKDC1HTTIMPDH2
SCHEMBL6094022 0.82 CCR6 (0.51) LMNACCR6HKDC1HTTIMPDH2
SCHEMBL29690625 0.82 CCR6 (0.51) LMNACCR6HKDC1HTTIMPDH2
SCHEMBL29690580 0.82 CCR6 (0.51) LMNACCR6HKDC1HTTIMPDH2
SCHEMBL28629974 0.82 KDM4E (0.44) LMNACCR6HKDC1HTTIMPDH2

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-113200967-B Indole benzoquinone compound, preparation method and application thereof 中国人民解放军陆军军医大学 2022-05-24 CN disclosed
CN-113200967-A Indole benzoquinone compound, preparation method and application thereof 中国人民解放军陆军军医大学 2021-08-03 CN disclosed