SCHEMBL8928587

SCHEMBL8928587

O=C(NCc1nnc2n1-c1sc(C(=O)O)cc1C(c1ccccc1Cl)=NC2)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 18/20 0.46
OPRK1 P41145 1/20 0.45
PDE4D Q08499 1/20 0.45
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL8928900 0.89 PTAFR (0.51) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL8928524 0.89 OPRK1 (0.47) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL8928535 0.89 OPRK1 (0.49) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL8928475 0.88 OPRK1 (0.61) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL8928554 0.86 OPRK1 (0.53) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL8928625 0.84 OPRK1 (0.47) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL8928684 0.84 PTAFR (0.45) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL8928371 0.84 HPGD (0.45) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL8928549 0.83 MIF (0.43) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL8928569 0.82 OPRK1 (0.51) 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 1 patent. 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 disclosed