SCHEMBL8928450

SCHEMBL8928450

Cc1sc2c(c1C)C(c1ccccc1)=NCc1nnc(CN)n1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.40
HPGD P15428 3/20 0.39
BRD4 O60885 6/20 0.39
GABRA1 P14867 3/20 0.39
GABRA5 P31644 3/20 0.39
GABRA2 P47869 3/20 0.39
GABRB2 P47870 3/20 0.39
LMNA P02545 1/20 0.39
CNR1 P21554 1/20 0.39
GABRA3 P34903 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE4D Q08499 1/20 0.36
PTAFR P25105 3/20 0.36
DNER Q8NFT8 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL8928586 0.85 OPRK1 (0.51) OPRK1GABRA1GABRA5GABRA2GABRB2
SCHEMBL9038947 0.85 BRD4 (0.50) OPRK1HPGDBRD4GABRA1GABRA5
SCHEMBL8928600 0.80 OPRK1 (0.47) OPRK1HPGDBRD4GABRA1GABRA5
SCHEMBL8928425 0.77 MAPK1 (0.44) OPRK1HPGDBRD4KMT2ARECQL
SCHEMBL2539664 0.76 BRD4 (0.54) OPRK1HPGDBRD4GABRA1GABRA5
SCHEMBL8928633 0.76 OPRK1 (0.58) OPRK1HPGDBRD4GABRA1GABRA5
SCHEMBL2538162 0.76 BRD4 (0.45) OPRK1BRD4PDE4DPTAFRDNER
SCHEMBL8928945 0.76 OPRK1 (0.44) OPRK1HPGDBRD4GABRA1GABRA5
SCHEMBL8928620 0.76 SMN1; SMN2 (0.40) HPGDBRD4MEN1KMT2ARECQL
SCHEMBL8928404 0.76 HPGD (0.41) OPRK1HPGDBRD4LMNARECQL

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