SCHEMBL8019052

SCHEMBL8019052

COC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1CSC

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 16/20 0.57
CNR1 P21554 4/20 0.57

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
SCHEMBL8012726 0.90 CNR2 (0.57) CNR2CNR1
SCHEMBL8013842 0.90 CNR1 (0.57) CNR2CNR1
Hydrochloric Acid SCHEMBL8003542 0.89 CNR2 (0.56) CNR2CNR1
SCHEMBL8003539 0.88 CNR2 (0.57) CNR2CNR1
SCHEMBL908827 0.88 CNR2 (0.60) CNR2CNR1
SCHEMBL909361 0.87 CNR2 (0.59) CNR2CNR1
SCHEMBL8012882 0.87 CNR2 (0.59) CNR2CNR1
SCHEMBL3089742 0.83 CNR1 (0.57) CNR2CNR1
SCHEMBL908310 0.82 CNR2 (0.75) CNR2CNR1
SCHEMBL7769916 0.82 CNR1 (0.75) CNR2CNR1

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-6028084-A Pyrazole derivatives, method for preparing same, and pharmaceutical compositions containing said derivatives SANOFI-SYNTHELABO (FR) 2000-02-22 US disclosed