SCHEMBL10413407

SCHEMBL10413407

Cc1cc(NS(=O)(=O)NC(=O)N2C[C@H](NC(=O)Cc3csc(N)n3)C2=O)ns1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ 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
SCHEMBL10551027 0.87 KDM4E (0.34) HSD17B10GABRA5GABRB2L3MBTL1SMN1; SMN2
SCHEMBL10413872 0.82 MAPK1 (0.38) L3MBTL1SMN1; SMN2ALDH1A1TSHRLMNA
SCHEMBL10414278 0.81 POLB (0.38) HSD17B10L3MBTL1SMN1; SMN2ALDH1A1TSHR
SCHEMBL10413424 0.81 KDM5A (0.30) —
SCHEMBL10413422 0.81 KDM5A (0.30) —
SCHEMBL10414816 0.81 KDM4E (0.33) HSD17B10KDM4ELMNATDP1
SCHEMBL10412892 0.80 NR1I2 (0.45) HSD17B10L3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL10413413 0.78 ESR1 (0.40) HSD17B10L3MBTL1ALDH1A1KDM4ETSHR
SCHEMBL10414277 0.78 — —
SCHEMBL10414303 0.77 ALDH1A1 (0.31) ALDH1A1

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-4912214-A Containing azelidin-2-one ring HOFFMAN-LA ROCHE INC. (US) 1990-03-27 — — US disclosed
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