SCHEMBL30701974

SCHEMBL30701974

COc1cc(-c2cc3[nH]c(=O)n(-c4cncc5ccccc45)c(=O)c3cc2F)c(C#N)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 2/20 0.39
PKM P14618 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
GRIN1 Q05586 3/20 0.37
GRIN2B Q13224 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
BRD4 O60885 1/20 0.35
BRD2 P25440 1/20 0.35
BRD3 Q15059 1/20 0.35
MALT1 Q9UDY8 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
KMT2A Q03164 1/20 0.35
CLK1 P49759 2/20 0.34
CLK2 P49760 2/20 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
SCHEMBL27191737 1.00 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10PKM
SCHEMBL30702073 0.95 ALDH1A1 (0.41) KDM4EALDH1A1HPGDHSD17B10PKM
SCHEMBL27191901 0.95 ALDH1A1 (0.41) KDM4EALDH1A1HPGDHSD17B10PKM
SCHEMBL29326730 0.90 ALDH1A1 (0.41) KDM4EALDH1A1HPGDHSD17B10PKM
SCHEMBL27380568 0.89 CYP11B1 (0.44) KDM4EALDH1A1HPGDHSD17B10PKM
SCHEMBL27192321 0.89 HSD17B10 (0.43) KDM4EALDH1A1HPGDHSD17B10PKM
SCHEMBL30701994 0.89 HSD17B10 (0.43) KDM4EALDH1A1HPGDHSD17B10PKM
SCHEMBL27192383 0.87 ALDH1A1 (0.41) KDM4EALDH1A1HPGDHSD17B10PKM
SCHEMBL27378015 0.87 CYP11B1 (0.44) KDM4ECYP11B1CYP11B2MALT1CDK5
SCHEMBL27380555 0.83 HSD17B10 (0.48) KDM4EALDH1A1HPGDHSD17B10PKM

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