SCHEMBL4045248

SCHEMBL4045248

Cc1c(OC(=O)NC(Cc2cccs2)C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)Cc2ccccn2)oc2ccccc12

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.32
USP30 Q70CQ3 1/20 0.32
CTSK P43235 12/20 0.31
CTSS P25774 6/20 0.31
CTSB P07858 4/20 0.31
CTSL P07711 9/20 0.31
CTSV O60911 2/20 0.31
MAPT P10636 2/20 0.31
GAA P10253 1/20 0.31
ADAM17 P78536 1/20 0.30
LMNA P02545 1/20 0.30
PKM P14618 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
SCHEMBL4047038 0.91 CTSK (0.39) CTSKCTSSCTSBCTSLCTSV
SCHEMBL4042095 0.90 CTSK (0.39) NPC1RAB9ASMN1; SMN2CTSKCTSS
SCHEMBL4047097 0.89 CTSL (0.33) NPC1RAB9ASMN1; SMN2TSHRCTSK
SCHEMBL4040800 0.89 PREP (0.36) NPC1RAB9ASMN1; SMN2TSHRCTSK
SCHEMBL4046215 0.89 CHRNB2 (0.34) SMN1; SMN2TSHRCTSKCTSSCTSB
SCHEMBL4046790 0.89 USP30 (0.36) USP30CTSKCTSSCTSBCTSL
SCHEMBL4050728 0.86 SMN1; SMN2 (0.33) SMN1; SMN2TSHRCTSKCTSSCTSB
SCHEMBL4050878 0.86 CTSK (0.38) NPC1RAB9ASMN1; SMN2USP30CTSK
SCHEMBL4042344 0.84 CTSK (0.33) SMN1; SMN2CTSKMAPTGAAPKM
SCHEMBL4046064 0.84 SMN1; SMN2 (0.35) SMN1; SMN2CTSKCTSSCTSBMAPT

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-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed