SCHEMBL7017160

SCHEMBL7017160

O=c1[nH]c2ccccc2n1C1CCN(CCCn2nc(-c3ccc(Br)cc3)c3c2CCN(S(=O)(=O)O)C3)CC1

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSS P25774 18/20 0.86
CD74 P04233 2/20 0.56

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
SCHEMBL5531987 0.93 CTSS (1.00) CTSSCD74
SCHEMBL5534266 0.87 CTSS (0.81) CTSS
SCHEMBL5541145 0.87 CTSS (0.75) CTSS
SCHEMBL5532221 0.86 CTSS (0.76) CTSSCD74
SCHEMBL5788301 0.85 CTSS (0.72) CTSS
SCHEMBL5537051 0.84 CTSS (1.00) CTSSCD74
SCHEMBL4713169 0.82 CTSS (1.00) CTSS
SCHEMBL14536220 0.80 CTSS (0.87) CTSS
SCHEMBL5529968 0.80 CTSS (1.00) CTSSCD74
SCHEMBL4717007 0.78 CTSS (0.73) CTSSCD74

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-1309593-A2 SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-14 EP disclosed
WO-2002014315-A2 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-21 WO disclosed