SCHEMBL30701987

SCHEMBL30701987

O=Cc1cccc(Cl)c1-c1ccc2c(=O)n(-c3cncc4ccccc34)c(=O)[nH]c2c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.41
NPEPPS P55786 1/20 0.39
GAA P10253 1/20 0.38
TP53 P04637 3/20 0.37
ERN1 O75460 3/20 0.36
PTGES O14684 5/20 0.35
CYP2C9 P11712 2/20 0.35
GRIA1 P42261 2/20 0.35
CACNG8 Q8WXS5 2/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
FEN1 P39748 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
IDO2 Q6ZQW0 1/20 0.34

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
SCHEMBL27191924 1.00 KDM4E (0.41) KDM4EHTTNPEPPSGAATP53
SCHEMBL27192346 0.92 KDM4E (0.46) KDM4EHTTNPEPPSGAATP53
SCHEMBL27191798 0.88 KDM4E (0.43) KDM4EHTTNPEPPSGAATP53
SCHEMBL27191759 0.87 PTGES (0.46) KDM4EHTTNPEPPSGAATP53
SCHEMBL27192074 0.87 KDM4E (0.42) KDM4EHTTNPEPPSGAATP53
SCHEMBL27378574 0.86 KDM4E (0.41) KDM4EHTTNPEPPSGAATP53
SCHEMBL27191898 0.85 KDM4E (0.41) KDM4EHTTNPEPPSGAATP53
SCHEMBL27378403 0.85 TP53 (0.41) KDM4EHTTNPEPPSGAATP53
SCHEMBL27377882 0.85 GRIA1 (0.48) KDM4EHTTNPEPPSGAATP53
SCHEMBL27378401 0.85 GRIA1 (0.48) KDM4EHTTNPEPPSGAATP53

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
EP-4565574-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2025-06-11 EP disclosed
CN-119731159-A SARS-CoV2 main proteinase inhibitor 吉利德科学公司 2025-03-28 CN disclosed
WO-2024031089-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-08 WO disclosed