Sugi Predict

Sugi Predict / Compounds / SCHEMBL5605082

SCHEMBL5605082

SCHEMBL5605082

CN(C)c1cccc(-c2ccc(C(N)=O)s2)c1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 15/20 0.60
▸ HSD17B2 P37059 15/20 0.60
▸ EPHX2 P34913 1/20 0.58
▸ FYN P06241 1/20 0.57
▸ IKBKB O14920 1/20 0.53
▸ CNR1 P21554 1/20 0.50
▸ HPGDS O60760 1/20 0.47

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
SCHEMBL2690201 0.79 IKBKB (0.68) EPHX2IKBKBHPGDS
SCHEMBL6612574 0.78 HPGDS (0.60) HSD17B1HSD17B2EPHX2IKBKBHPGDS
SCHEMBL1784584 0.78 HPGDS (0.73) HSD17B1HSD17B2EPHX2IKBKBHPGDS
SCHEMBL29922717 0.77 EPHX2 (0.58) HSD17B1HSD17B2EPHX2IKBKBHPGDS
SCHEMBL27565420 0.77 ESRRG (0.59) HSD17B1HSD17B2EPHX2IKBKBHPGDS
SCHEMBL27565581 0.77 IKBKB (0.71) HSD17B1HSD17B2EPHX2IKBKBCNR1
SCHEMBL28541614 0.77 EPHX2 (0.58) HSD17B1HSD17B2EPHX2IKBKBHPGDS
SCHEMBL27816573 0.77 EPHX2 (0.52) HSD17B1HSD17B2EPHX2IKBKBHPGDS
SCHEMBL5613367 0.77 HDAC6 (0.71) HSD17B1HSD17B2EPHX2IKBKB
SCHEMBL13524648 0.77 EPHX2 (0.58) HSD17B1HSD17B2EPHX2IKBKBHPGDS

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
EP-1545537-B1 ALPHA-7 NICOTINIC RECEPTOR AGONISTS AND STATINS IN COMBINATION ASTRAZENECA AB (SE) 2007-04-04 — — EP claimed
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