SCHEMBL11511687

SCHEMBL11511687

Cc1nnc2n1-c1sc(Cl)cc1C(c1ccccc1[N+](=O)[O-])=NC2

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 19/20 0.59
OPRK1 P41145 1/20 0.57
PDE4D Q08499 1/20 0.57
CYP3A4 P08684 1/20 0.51
ALOX15 P16050 1/20 0.51

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
SCHEMBL11510242 0.86 OPRK1 (0.46) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL11509934 0.85 PTAFR (0.79) PTAFROPRK1PDE4D
SCHEMBL11508913 0.85 OPRK1 (0.44) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL11507904 0.85 PTAFR (0.69) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL10509168 0.85 OPRK1 (0.61) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL11507350 0.84 OPRK1 (0.45) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL11508877 0.82 PTAFR (0.47) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL11508119 0.82 PTAFR (0.65) PTAFROPRK1PDE4D
SCHEMBL9661363 0.82 PTAFR (0.62) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL11510006 0.80 PTAFR (0.62) PTAFROPRK1PDE4D

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-4155913-A ANTICONBULSANTS, MUSCLE RELAXANTS AND SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1979-05-22 US disclosed