SCHEMBL8928627

SCHEMBL8928627

O=C(NCc1nnc2n1-c1sc(C3CC3)cc1C(c1ccccc1Cl)=NC2)c1cc2ccccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.42
PTAFR P25105 15/20 0.42
OPRK1 P41145 1/20 0.41
PDE4D Q08499 1/20 0.41
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
CCKBR P32239 1/20 0.39

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
SCHEMBL8928549 0.89 MIF (0.43) MIFPTAFROPRK1PDE4DCYP3A4
SCHEMBL8928421 0.88 OPRK1 (0.57) MIFPTAFROPRK1PDE4DCYP3A4
SCHEMBL8928601 0.88 PTAFR (0.44) MIFPTAFROPRK1PDE4DCYP3A4
SCHEMBL8928487 0.87 OPRK1 (0.46) MIFPTAFROPRK1PDE4DCYP3A4
SCHEMBL8928523 0.87 PTAFR (0.49) MIFPTAFROPRK1PDE4DCYP3A4
SCHEMBL8928543 0.85 OPRK1 (0.44) MIFPTAFROPRK1PDE4DCYP3A4
SCHEMBL8928615 0.82 OPRK1 (0.55) MIFPTAFROPRK1PDE4DCYP3A4
SCHEMBL8928529 0.81 OPRK1 (0.47) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL8928639 0.81 OPRK1 (0.55) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL8928499 0.81 OPRK1 (0.53) PTAFROPRK1PDE4DCYP3A4ALOX15

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0776892-A1 THIENYLAZOLE COMPOUND AND THIENOTRIAZOLODIAZEPINE COMPOUND YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-06-04 EP claimed
EP-0776892-A1 THIENYLAZOLE COMPOUND AND THIENOTRIAZOLODIAZEPINE COMPOUND YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-06-04 EP disclosed