SCHEMBL8928945

SCHEMBL8928945

NCc1nnc2n1-c1sccc1C(c1ccccc1)=NC2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.44
HPGD P15428 3/20 0.43
GABRA1 P14867 5/20 0.41
GABRA5 P31644 5/20 0.41
GABRA2 P47869 5/20 0.41
GABRB2 P47870 5/20 0.41
GABRA3 P34903 3/20 0.41
BRD4 O60885 2/20 0.41
LMNA P02545 1/20 0.41
CNR1 P21554 1/20 0.41
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PDE4D Q08499 2/20 0.34
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
PTAFR P25105 5/20 0.32
CCKBR P32239 1/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL2442196 0.81 GABRA1 (0.57) OPRK1HPGDGABRA1GABRA5GABRA2
SCHEMBL8928600 0.81 OPRK1 (0.47) OPRK1HPGDGABRA1GABRA5GABRA2
SCHEMBL11037044 0.80 OPRK1 (0.56) OPRK1HPGDGABRA1GABRA5GABRA2
SCHEMBL8928633 0.79 OPRK1 (0.58) OPRK1HPGDGABRA1GABRA5GABRA2
SCHEMBL8928450 0.76 OPRK1 (0.40) OPRK1HPGDGABRA1GABRA5GABRA2
SCHEMBL8928500 0.75 MAPK1 (0.43) OPRK1HPGDGABRA1GABRA5GABRA2
SCHEMBL11861414 0.74 GABRA1 (0.70) OPRK1HPGDGABRA1GABRA5GABRA2
SCHEMBL7326170 0.74 OPRK1 (0.77) OPRK1HPGDGABRA1GABRA5GABRA2
SCHEMBL11349906 0.74 OPRK1 (0.58) OPRK1HPGDGABRA1GABRA5GABRA2
SCHEMBL8928488 0.74 HPGD (0.44) OPRK1HPGDGABRA1GABRA5GABRA2

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