SCHEMBL4041463

SCHEMBL4041463

CCCC(NC(=O)c1ccc(OC)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.43
ALDH1A1 P00352 2/20 0.39
SLC18A3 Q16572 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
LMNA P02545 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
USP30 Q70CQ3 1/20 0.37
CXCR3 P49682 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
GPR132 Q9UNW8 3/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL4045200 0.93 CTSK (0.45) CTSKALDH1A1RAB9AMMP9MMP13
SCHEMBL4040150 0.92 CTSK (0.41) CTSKALDH1A1KMT2AGPR132CCR1
SCHEMBL4040176 0.92 CTSK (0.52) CTSKALDH1A1SLC18A3RAB9AKMT2A
SCHEMBL4043857 0.92 CTSK (0.44) CTSKGPR132CCR1PREPFAP
SCHEMBL4043768 0.92 CTSK (0.42) CTSKALDH1A1LMNAGPR132
SCHEMBL4040234 0.91 CTSK (0.54) CTSKALDH1A1RAB9ALMNAGPR132
SCHEMBL4041145 0.91 CTSK (0.45) CTSKALDH1A1RAB9AGAACCR1
SCHEMBL4039055 0.90 CTSK (0.54) CTSKALDH1A1RAB9ACHRNB2CHRNA7
SCHEMBL4041112 0.90 CTSK (0.46) CTSKCCR1PREPFAPKDM1A
SCHEMBL4042400 0.90 LMNA (0.43) CTSKALDH1A1KMT2AMMP1MMP3

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-1506175-B1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed