SCHEMBL26235125

SCHEMBL26235125

CCc1ccc2c(NC(=O)OCC(C)C)ncnn12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CSNK2A2 P19784 1/20 0.35
▸ CSNK2A1 P68400 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ BRD4 O60885 2/20 0.34
▸ LCK P06239 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ MAOB P27338 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
SCHEMBL26206065 0.86 KDR (0.44) SMN1; SMN2KDM4EALDH1A1HSD17B10MEN1
SCHEMBL26209321 0.85 KDM4E (0.38) SMN1; SMN2KDM4EALDH1A1HSD17B10MEN1
SCHEMBL26825431 0.83 KDM4E (0.36) SMN1; SMN2KDM4EALDH1A1HSD17B10MEN1
SCHEMBL26206072 0.75 KDR (0.47) SMN1; SMN2KDM4EALDH1A1KDR
SCHEMBL26229447 0.75 KCNQ3 (0.38) SMN1; SMN2HSD17B10MEN1KMT2AMAPT
SCHEMBL26235345 0.73 LCK (0.35) KDM4ETSHRMAPK1CSNK2A2CSNK2A1
SCHEMBL26206080 0.69 EGFR (0.46) SMN1; SMN2KDM4EALOX15KDR
SCHEMBL26206074 0.68 EGFR (0.50) SMN1; SMN2KDM4EALDH1A1HSD17B10TSHR
SCHEMBL26206088 0.67 NPC1 (0.48) SMN1; SMN2ALDH1A1HSD17B10TSHRMAPK1
SCHEMBL26229442 0.64 PKM (0.36) KDM4EALDH1A1HSD17B10MEN1KMT2A

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
WO-2023168254-A1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. (US) 2023-09-07 — — WO disclosed
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