SCHEMBL27748668

SCHEMBL27748668

COCc1nc(N)sc1OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.36
▸ ALDH1A1 P00352 5/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CDK8 P49336 1/20 0.32
▸ CDK19 Q9BWU1 1/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HPGD P15428 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MAPT P10636 1/20 0.30

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
SCHEMBL27769966 0.87 ALDH1A1 (0.38) ALDH1A1CYP1A2HSD17B10HTTL3MBTL1
SCHEMBL27699407 0.82 ALDH1A1 (0.33) ALDH1A1HPGD
SCHEMBL4403974 0.78 ALDH1A1 (0.42) POLBALDH1A1CYP1A2CDK8CDK19
SCHEMBL27872987 0.74 ALDH1A1 (0.44) POLBALDH1A1CYP1A2HSD17B10HPGD
SCHEMBL27719750 0.73 ALDH1A1 (0.40) POLBALDH1A1CYP1A2HSD17B10L3MBTL1
SCHEMBL2444646 0.72 L3MBTL1 (0.46) POLBALDH1A1CYP1A2HSD17B10L3MBTL1
SCHEMBL28768528 0.71 CYP1A2 (0.48) POLBALDH1A1CYP1A2HSD17B10HTT
SCHEMBL27770010 0.70 ALDH1A1 (0.32) ALDH1A1CYP1A2MAPT
SCHEMBL957228 0.68 POLB (0.42) POLBHSD17B10SMN1; SMN2MAPT
SCHEMBL4404136 0.67 ALDH1A1 (0.45) ALDH1A1CYP1A2HSD17B10HTTL3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101163693-B Antibacterial piperidine derivatives ASTRAZENECA AB 2013-03-06 — — CN disclosed
CN-101472902-A Novel piperazine compounds and their use as HCV polymerase inhibitors JAPAN TOBACCO INC (JP) 2009-07-01 — — CN disclosed
CN-101421265-A Thiazole compounds as protein kinase b (pkb) inhibitors AMGEN INC (US) 2009-04-29 — — CN disclosed
CN-101163693-A Antibacterial piperidine derivatives ASTRAZENECA AB (SE) 2008-04-16 — — CN disclosed
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