SCHEMBL8585326

SCHEMBL8585326

Cc1ncsc1-c1c(-c2ccccn2)[nH]c2c1C(=O)CC(C)(C)C2

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BUB1 O43683 17/20 0.46
▸ GABRA1 P14867 3/20 0.45
▸ GABRG2 P18507 3/20 0.45
▸ GABRB3 P28472 3/20 0.45
▸ GABRA5 P31644 3/20 0.45
▸ GABRA3 P34903 3/20 0.45
▸ GABRA2 P47869 3/20 0.45

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
SCHEMBL8490579 0.85 BUB1 (0.56) BUB1GABRA1GABRG2GABRB3GABRA5
SCHEMBL8582722 0.81 BUB1 (0.48) BUB1GABRA1GABRG2GABRB3GABRA5
SCHEMBL8489982 0.81 BUB1 (0.54) BUB1
SCHEMBL8581967 0.81 BUB1 (0.48) BUB1GABRA1GABRG2GABRB3GABRA5
SCHEMBL8490091 0.78 BUB1 (0.53) BUB1GABRA1GABRG2GABRB3GABRA5
SCHEMBL8494310 0.77 BUB1 (0.48) BUB1GABRA1GABRG2GABRB3GABRA5
SCHEMBL8490734 0.76 BUB1 (0.51) BUB1GABRA1GABRG2GABRB3GABRA5
SCHEMBL8494007 0.76 BUB1 (0.51) BUB1GABRA1GABRG2GABRB3GABRA5
SCHEMBL8489551 0.76 GABRA1 (0.54) BUB1GABRA1GABRG2GABRB3GABRA5
SCHEMBL8492453 0.73 ALPL (0.52) BUB1GABRA1GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5844103-A Anionic glycasuccinamide sufactants and a process for their manufacture LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1998-12-01 — — US disclosed
US-5541341-A CARBOHYDRATE BASED SURFACTANTS LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1996-07-30 — — US disclosed
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