SCHEMBL8928635

SCHEMBL8928635

COc1cccc(NC(=O)NCc2nnc3n2-c2sc(C(=O)O)cc2C(c2ccccc2Cl)=NC3)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 14/20 0.44
OPRK1 P41145 1/20 0.42
PDE4D Q08499 1/20 0.42
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
CASR P41180 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL8928854 0.92 OPRK1 (0.44) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL8928542 0.91 OPRK1 (0.46) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL8928545 0.90 OPRK1 (0.47) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL8928504 0.90 OPRK1 (0.56) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL8928625 0.86 OPRK1 (0.47) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL8928706 0.84 OPRK1 (0.45) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL8928511 0.83 PKM (0.42) PKMMAPK1RAB9ACASRMAPT
SCHEMBL8928915 0.82 OPRK1 (0.62) PTAFROPRK1PDE4DCYP3A4ALOX15
SCHEMBL8928656 0.82 OPRK1 (0.44) OPRK1PDE4DPKMMAPK1RAB9A
SCHEMBL8929052 0.82 OPRK1 (0.58) 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