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Sugi Predict / Compounds / SCHEMBL14096747

SCHEMBL14096747

SCHEMBL14096747

CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CC(O)CN2CCN(c3c(Cl)cccc3N=O)CC2)C1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 20/20 0.64
▸ CD74 P04233 10/20 0.59

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
SCHEMBL13222336 0.96 CTSS (0.69) CTSSCD74
SCHEMBL14107716 0.92 CTSS (0.65) CTSSCD74
SCHEMBL2980660 0.90 CTSS (0.66) CTSSCD74
SCHEMBL2975020 0.88 CTSS (0.64) CTSSCD74
SCHEMBL2978007 0.88 CTSS (0.63) CTSSCD74
SCHEMBL2985107 0.87 CTSS (0.62) CTSSCD74
SCHEMBL2973696 0.87 CTSS (0.62) CTSSCD74
SCHEMBL8408389 0.87 CTSS (0.57) CTSSCD74
SCHEMBL2967059 0.87 CTSS (0.71) CTSSCD74
SCHEMBL2981301 0.86 CTSS (0.61) 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-7429591-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2008-09-30 — — US disclosed