SCHEMBL4042344

SCHEMBL4042344

Cc1c(OC(=O)NC(Cc2cccs2)C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)C(=O)c2cccnc2)oc2ccccc12

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.33
MC4R P32245 1/20 0.31
MC5R P33032 1/20 0.31
MC3R P41968 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL4050728 0.91 SMN1; SMN2 (0.33) CTSKCHRNB2CHRNA7CHRNA4GAA
SCHEMBL4047585 0.90 CTSK (0.41) CTSKCHRNB2CHRNA7CHRNA4
SCHEMBL4042994 0.90 CTSS (0.35) CTSKCHRNB2CHRNA7CHRNA4GAA
SCHEMBL4046502 0.90 PREP (0.34) CTSKCHRNB2CHRNA7CHRNA4GAA
SCHEMBL4046215 0.89 CHRNB2 (0.34) CTSKCHRNB2CHRNA7CHRNA4GAA
SCHEMBL4046790 0.89 USP30 (0.36) CTSK
SCHEMBL4047038 0.86 CTSK (0.39) CTSK
SCHEMBL4044961 0.85 CHRNB2 (0.35) CTSKMC4RCHRNB2CHRNA7CHRNA4
SCHEMBL4045248 0.84 NPC1 (0.33) CTSKGAAMAPTPKMSMN1; SMN2
SCHEMBL4046064 0.83 SMN1; SMN2 (0.35) CTSKALDH1A1GAAMAPTSMN1; SMN2

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-1566384-B1 NOVEL AZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2009-06-17 EP claimed