SCHEMBL4715726

SCHEMBL4715726

CC(=O)[N+]([O-])(O)n1c(=O)n(C2CCN(CCCn3nc(-c4ccc(C(F)(F)F)cc4)c4c3CCN(S(C)(=O)=O)C4)CC2)c2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.71
CD74 P04233 3/20 0.60

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
SCHEMBL4713879 0.83 CTSS (1.00) CTSSCD74
SCHEMBL4717007 0.83 CTSS (0.73) CTSSCD74
SCHEMBL4715722 0.83 CTSS (0.76) CTSSCD74
SCHEMBL4714030 0.82 CTSS (0.74) CTSSCD74
SCHEMBL5537051 0.82 CTSS (1.00) CTSSCD74
SCHEMBL4712433 0.81 CTSS (0.73) CTSSCD74
SCHEMBL6428185 0.81 CTSS (0.75) CTSSCD74
SCHEMBL5535384 0.81 CTSS (0.74) CTSSCD74
SCHEMBL5529899 0.80 CTSS (0.86) CTSSCD74
SCHEMBL29571699 0.79 CTSS (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1315490-B1 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARM INC (US) 2008-11-12 EP claimed