SCHEMBL10894657

SCHEMBL10894657

[CH]=Nc1nc2ccccc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 2/20 0.49
HPGD P15428 3/20 0.48
HSD17B10 Q99714 3/20 0.48
ALDH1A1 P00352 2/20 0.48
ADRA2A P08913 1/20 0.48
FBP1 P09467 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
DRD2 P14416 1/20 0.48
ALOX15 P16050 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
DRD1 P21728 1/20 0.48
MC5R P33032 1/20 0.48
OPRM1 P35372 1/20 0.48
DRD3 P35462 1/20 0.48
OPRK1 P41145 1/20 0.48
CCR2 P41597 1/20 0.48
HTR6 P50406 1/20 0.48
SLC6A3 Q01959 1/20 0.48
PDK1 Q15118 1/20 0.48

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
SCHEMBL6655466 0.85 HPGD (0.54) INSRHPGDHSD17B10ALDH1A1ADRA2A
SCHEMBL31314986 0.83 INSR (0.65) INSRHPGDHSD17B10ALDH1A1ADRA2A
SCHEMBL1506734 0.83 INSR (0.65) INSRHPGDHSD17B10ALDH1A1ADRA2A
SCHEMBL10894663 0.79 INSR (0.51) INSRHPGDHSD17B10ALDH1A1ADRA2A
SCHEMBL6635403 0.79 INSR (0.53) INSRHPGDHSD17B10ALDH1A1ADRA2A
SCHEMBL1222861 0.79 HPGD (0.53) INSRHPGDHSD17B10ALDH1A1ADRA2A
SCHEMBL1304086 0.79 INSR (0.49) INSRHPGDHSD17B10ALDH1A1ADRA2A
SCHEMBL1222858 0.79 INSR (0.49) INSRHPGDHSD17B10ALDH1A1ADRA2A
SCHEMBL19849828 0.79 HPGD (0.49) INSRHPGDHSD17B10ALDH1A1ADRA2A
SCHEMBL6998648 0.79 INSR (0.49) INSRHPGDHSD17B10ALDH1A1ADRA2A

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
US-4614745-A Anti-allergic 3-(carboxycarbonyl)amino benzothiopyran-4-one derivatives, compositions, and method of use therefor CIBA-GEIGY CORPORATION (US) 1986-09-30 US disclosed
EP-0159964-A2 3-Substituted thiopyrone CIBA-GEIGY AG (CH) 1985-10-30 EP disclosed