SCHEMBL8928529

SCHEMBL8928529

O=C(NCc1nnc2n1-c1sc(C3CC3)cc1C(c1ccccc1Cl)=NC2)Nc1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.47
PDE4D Q08499 1/20 0.47
PTAFR P25105 18/20 0.45
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
KMT2A Q03164 1/20 0.41

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
SCHEMBL8928456 0.88 OPRK1 (0.63) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928625 0.88 OPRK1 (0.47) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928438 0.87 OPRK1 (0.51) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928448 0.87 OPRK1 (0.49) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928537 0.86 OPRK1 (0.54) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928403 0.83 OPRK1 (0.49) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928583 0.83 OPRK1 (0.62) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928983 0.83 OPRK1 (0.59) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928565 0.82 HPGD (0.45) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928698 0.82 OPRK1 (0.42) OPRK1PDE4DPTAFRCYP3A4ALOX15

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