SCHEMBL11736194

SCHEMBL11736194

C#Cc1cnc(C)c(O)c1CSSCc1c(C#C)cnc(C)c1O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ LMNA P02545 2/20 0.39
▸ PNPO Q9NVS9 1/20 0.38
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ PDXK O00764 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ AOX1 Q06278 1/20 0.32
▸ TRIM24 O15164 1/20 0.31
▸ TRIM33 Q9UPN9 1/20 0.31

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
SCHEMBL11736210 0.87 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL11244339 0.87 LMNA (0.41) KDM4EALDH1A1HPGDHSD17B10LMNA
Hydrochloric Acid SCHEMBL11016843 0.83 KDM4E (0.37) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL11010752 0.83 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL11016969 0.81 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10LMNA
Hydrochloric Acid SCHEMBL11012103 0.80 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL11014309 0.80 KDM4E (0.35) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL11013064 0.79 KDM4E (0.34) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL11014182 0.79 PNPO (0.36) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL11014722 0.78 POLB (0.40) KDM4EALDH1A1HPGDHSD17B10CYP1A2

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
US-4053606-A ANTIINFLAMMATORY AND ANTIARTHRITIC AGENTS MERCK & CO., INC. (US) 1977-10-11 — — US disclosed
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