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SCHEMBL290293

SCHEMBL290293

COCCn1c(=O)sc2ccc(-c3ccc(C(C#N)CNC(=O)C4(NC(=O)O)CCOCC4)cc3)cc21

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 8/20 0.50
▸ KCNH2 Q12809 1/20 0.38
▸ CTSL P07711 11/20 0.34
▸ CTSB P07858 11/20 0.34
▸ CTSS P25774 11/20 0.34
▸ CTSK P43235 4/20 0.33
▸ BRD4 O60885 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
SCHEMBL2892493 0.86 CTSC (0.63) CTSCKCNH2CTSK
SCHEMBL290107 0.86 CTSC (0.49) CTSCKCNH2CTSLCTSBCTSS
SCHEMBL290463 0.82 CTSC (0.49) CTSCKCNH2
SCHEMBL290292 0.80 CTSC (0.47) CTSCKCNH2CTSKBRD4
SCHEMBL299100 0.80 CTSC (0.49) CTSCKCNH2
SCHEMBL290320 0.79 CTSC (0.45) CTSCKCNH2CTSK
SCHEMBL290246 0.78 ALDH1A1 (0.41) CTSCCTSLCTSBCTSSCTSK
SCHEMBL7876879 0.78 CTSC (0.59) CTSCKCNH2CTSK
SCHEMBL2888743 0.77 CTSC (0.65) CTSCKCNH2CTSK
SCHEMBL2888750 0.77 CTSC (0.65) CTSCKCNH2CTSK

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
EP-2427445-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 AstraZeneca AB (SE) 2012-03-14 — — EP disclosed
WO-2010128324-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 ASTRAZENECA AB (SE) 2010-11-11 — — WO disclosed