SCHEMBL4038641

SCHEMBL4038641

CCCC(NC(=O)Oc1cc2sccc2s1)C(=O)N1CCC2C1C(=O)CN2C(=O)Cc1cccnc1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.33
PAX8 Q06710 1/20 0.33
GPR132 Q9UNW8 3/20 0.32
PREP P48147 1/20 0.31
FAP Q12884 1/20 0.31
F2 P00734 1/20 0.31
UBE2M P61081 1/20 0.31
DCUN1D1 Q96GG9 1/20 0.31
ALDH1A1 P00352 2/20 0.31
ACACB O00763 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TNKS O95271 1/20 0.30
PARP1 P09874 1/20 0.30
PARP2 Q9UGN5 1/20 0.30
PARP4 Q9UKK3 1/20 0.30
PARP3 Q9Y6F1 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
SCHEMBL4042884 0.93 CTSK (0.41) CTSKPAX8ALDH1A1L3MBTL1
SCHEMBL4051435 0.91 HTRA1 (0.33) CTSKPAX8GPR132F2TNKS
SCHEMBL4043616 0.91 CTSK (0.35) CTSKPAX8GPR132PREPFAP
SCHEMBL4043944 0.90 CTSK (0.33) CTSKPAX8ALDH1A1L3MBTL1
SCHEMBL4046060 0.89 CTSK (0.35) CTSKPAX8GPR132PREPFAP
SCHEMBL4044199 0.88 SMYD3 (0.34) F2ALDH1A1
SCHEMBL4043056 0.85 HSD17B10 (0.36) PREPFAP
SCHEMBL4044586 0.85 CTSK (0.37) CTSKPAX8GPR132PREPFAP
SCHEMBL4045728 0.85 CTSK (0.35) CTSKPAX8GPR132PREPFAP
SCHEMBL4042699 0.84 CTSK (0.32) CTSKPREPFAP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2016064-A2 METHODS FOR THE PREPARATION OF PYRAZOLE-CONTAINING COMPOUNDS Janssen Pharmaceutica, N.V. (BE) 2009-01-21 EP disclosed
WO-2007131153-A2 METHODS FOR THE PREPARATION OF PYRAZOLE-CONTAINING COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 WO disclosed