SCHEMBL8928781

SCHEMBL8928781

O=C(NCc1nnc2n1-c1sccc1C(c1ccccc1)=NC2)c1cc2ccccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.46
OPRK1 P41145 1/20 0.43
HPGD P15428 1/20 0.40
CCKAR P32238 5/20 0.39
CCKBR P32239 5/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR2C P28335 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
ADRB2 P07550 1/20 0.38
TSPO P30536 1/20 0.38
GLP1R P43220 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL8928679 0.87 MIF (0.45) MIFOPRK1HPGDCCKARCCKBR
SCHEMBL8928848 0.86 OPRK1 (0.44) MIFOPRK1HPGDCCKARCCKBR
SCHEMBL8928636 0.83 MIF (0.44) MIFOPRK1HTR2CKDM4EHSD17B10
SCHEMBL8928590 0.80 OPRK1 (0.46) MIFOPRK1HPGDRECQLSMN1; SMN2
SCHEMBL8928637 0.80 MEN1 (0.42) OPRK1HPGDCCKARRECQLSMN1; SMN2
SCHEMBL8928488 0.80 HPGD (0.44) OPRK1HPGDCCKBRRECQLSMN1; SMN2
SCHEMBL8928549 0.79 MIF (0.43) MIFOPRK1
SCHEMBL8928487 0.78 OPRK1 (0.46) MIFOPRK1
SCHEMBL8928601 0.77 PTAFR (0.44) MIFOPRK1
SCHEMBL8928421 0.77 OPRK1 (0.57) MIFOPRK1

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