SCHEMBL13687675

SCHEMBL13687675

Cc1cccc(N=O)c1N1CCN(CC(O)Cn2nc(-c3ccc(CF)cc3)c3c2CCN(S(C)(=O)=O)C3)CC1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 20/20 0.53
▸ CD74 P04233 8/20 0.48

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
SCHEMBL8408389 0.96 CTSS (0.57) CTSSCD74
SCHEMBL14107716 0.91 CTSS (0.65) CTSSCD74
SCHEMBL13687644 0.88 CTSS (0.53) CTSSCD74
SCHEMBL13222336 0.87 CTSS (0.69) CTSSCD74
SCHEMBL13687452 0.86 CTSS (0.51) CTSSCD74
SCHEMBL2967059 0.84 CTSS (0.71) CTSSCD74
SCHEMBL14096747 0.83 CTSS (0.64) CTSSCD74
SCHEMBL14107715 0.82 CTSS (0.52) CTSSCD74
SCHEMBL14096862 0.81 CTSS (0.50) CTSSCD74
SCHEMBL14038387 0.80 CTSS (0.50) 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
US-7589202-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2009-09-15 — — US disclosed
Send feedback