SCHEMBL4042095

SCHEMBL4042095

Cc1c(OC(=O)NC(CC(C)C)C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)Cc2ccccn2)oc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.39
CTSL P07711 15/20 0.36
CTSS P25774 11/20 0.36
CTSB P07858 3/20 0.36
CTSV O60911 2/20 0.36
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL4040800 0.93 PREP (0.36) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4047097 0.93 CTSL (0.33) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4048016 0.90 CTSK (0.46) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4045248 0.90 NPC1 (0.33) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4044165 0.88 CTSK (0.38) CTSKCTSLCTSSCTSBSMN1; SMN2
SCHEMBL4049252 0.88 CTSK (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4051812 0.86 CTSK (0.43) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4039790 0.85 CTSK (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4041529 0.84 CTSK (0.47) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4050718 0.84 CTSK (0.41) CTSKCTSLCTSSCTSBCTSV

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
EP-2439193-B1 Derivatives of 5,6-bisaryl-2-pyridine-carboxamide, preparation and use thereof in therapeutics as antagonists of urotensin II receptors SANOFI SA (FR) 2014-04-23 EP disclosed
EP-2059508-B1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI SA (FR) 2012-04-11 EP disclosed
EP-2059508-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2009-05-20 EP disclosed
WO-2008020124-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2008-02-21 WO disclosed