SCHEMBL29523802

SCHEMBL29523802

CC(C)(C)OC(=O)NCc1cc(C(=N)NC(=O)OC(C)(C)C)c(F)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.37
GLS O94925 2/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
SERPINE1 P05121 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNA1C Q13936 1/20 0.34
KCNA5 P22460 1/20 0.34
PDPK1 O15530 1/20 0.33
GAA P10253 2/20 0.33
GRM2 Q14416 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
POLB P06746 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL25363707 0.93 ATM (0.33) KDM4AGLSCA12CA1SERPINE1
SCHEMBL29035153 0.90 KDM4A (0.37) KDM4AGLSKDM4ELMNACA12
SCHEMBL29523586 0.87 CA1 (0.35) KDM4AGLSKDM4ELMNACA12
SCHEMBL29523614 0.86 CA12 (0.38) KDM4AGLSKDM4ELMNACA12
Hydrochloric Acid SCHEMBL29523585 0.85 APLNR (0.32) CA12CA1CA2CA9SERPINE1
SCHEMBL29035181 0.78 TRPA1 (0.41) KDM4ACA12CA1CA2CA9
SCHEMBL25365517 0.71 GAA (0.31) GAA
SCHEMBL30143824 0.71 KDM4A (0.39) KDM4AGLSKDM4ELMNACA1
SCHEMBL23413431 0.71 KDM4A (0.39) KDM4AGLSKDM4ELMNASERPINE1
SCHEMBL25365021 0.70

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
EP-4216946-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS Achillion Pharmaceuticals, Inc. (US) 2023-08-02 EP disclosed
WO-2022066774-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2022-03-31 WO disclosed