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Sugi Predict / Compounds / SCHEMBL5790632

SCHEMBL5790632

SCHEMBL5790632

Cn1c(=O)n(C2CCN(CCCn3nc(-c4ccc(C(F)(F)F)cc4)c4c3CCN(OC(N)=O)C4)CC2)c2cc(Cl)ccc21

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 20/20 0.75
▸ CD74 P04233 1/20 0.49

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
SCHEMBL5787973 0.91 CTSS (0.64) CTSSCD74
SCHEMBL5788601 0.90 CTSS (0.74) CTSSCD74
SCHEMBL5535375 0.90 CTSS (0.77) CTSSCD74
SCHEMBL5534136 0.88 CTSS (0.78) CTSSCD74
SCHEMBL2226968 0.86 CTSS (1.00) CTSSCD74
SCHEMBL29571699 0.86 CTSS (1.00) CTSSCD74
SCHEMBL5788731 0.83 CTSS (0.73) CTSS
SCHEMBL5790381 0.83 CTSS (0.61) CTSSCD74
SCHEMBL5787937 0.83 CTSS (0.72) CTSSCD74
SCHEMBL5532231 0.81 CTSS (0.64) 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-1309593-B1 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARM INC (US) 2006-03-15 — — EP claimed