SCHEMBL4044090

SCHEMBL4044090

CCCC(NC(=O)Oc1ccc(-c2ccccc2)s1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1ccccn1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.34
PREP P48147 1/20 0.33
FAP Q12884 1/20 0.33
ELANE P08246 1/20 0.33
KMT2A Q03164 1/20 0.32
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MMP13 P45452 2/20 0.31
MMP8 P22894 2/20 0.31
MMP3 P08254 1/20 0.31
REN P00797 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
SCHEMBL4042306 0.95 MMP8 (0.37) CTSKPREPFAPELANEKMT2A
SCHEMBL4045898 0.93 CTSK (0.41) CTSKELANEKMT2AALDH1A1
SCHEMBL4051191 0.90 CTSK (0.37) CTSK
SCHEMBL4043139 0.89 ELANE (0.37) CTSKPREPFAPELANEKMT2A
SCHEMBL4038257 0.88 PREP (0.34) CTSKPREPFAPELANEKMT2A
SCHEMBL4043393 0.88 FKBP1A (0.35) CTSKMMP13
SCHEMBL4039641 0.88 CTSK (0.34) CTSKPREPFAP
SCHEMBL4045022 0.88 CTSK (0.35) CTSKPREPFAPELANEKMT2A
SCHEMBL4042987 0.87 CTSK (0.41) CTSKELANEKMT2AALDH1A1MMP13
SCHEMBL4045509 0.86 PREP (0.33) CTSKPREPFAPELANEKMT2A

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