SCHEMBL8990692

SCHEMBL8990692

Nc1[nH]c(SCc2ccccc2)nc2nc(-c3ccco3)nc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 10/20 0.47
MAPT P10636 7/20 0.47
ALDH1A1 P00352 7/20 0.47
KMT2A Q03164 6/20 0.47
HSD17B10 Q99714 5/20 0.47
MEN1 O00255 5/20 0.47
ALOX15 P16050 4/20 0.47
KDM4E B2RXH2 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
POLB P06746 3/20 0.47
HTT P42858 3/20 0.47
USP2 O75604 2/20 0.47
MAPK1 P28482 2/20 0.47
CASP7 P55210 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
RECQL P46063 2/20 0.47
THRB P10828 1/20 0.47
NR4A1 P22736 1/20 0.47
PTPN7 P35236 1/20 0.47
DUSP3 P51452 1/20 0.47

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
SCHEMBL8990531 0.80 ADORA3 (0.45) HPGDMAPTALDH1A1KMT2AHSD17B10
SCHEMBL8990654 0.75 ALDH1A1 (0.45) HPGDMAPTALDH1A1KMT2AHSD17B10
SCHEMBL7402584 0.68 MEN1 (0.64) HPGDMAPTALDH1A1KMT2AHSD17B10
SCHEMBL7149150 0.68 HPGD (0.53) HPGDMAPTALDH1A1KMT2AHSD17B10
SCHEMBL8990541 0.66 ADORA2A (0.50) HPGDMAPTALDH1A1KMT2AHSD17B10
SCHEMBL8990766 0.66 ADORA2A (0.41) HPGDMAPTALDH1A1KMT2AHSD17B10
SCHEMBL5036755 0.65 ALDH1A1 (0.54) HPGDMAPTALDH1A1KMT2AHSD17B10
SCHEMBL2113647 0.64 ALDH1A1 (1.00) HPGDMAPTALDH1A1KMT2AHSD17B10
SCHEMBL9328262 0.64 ADORA3 (0.67) ALDH1A1HSD17B10MAPK1SMN1; SMN2
SCHEMBL7146168 0.64 ALDH1A1 (0.60) HPGDMAPTALDH1A1KMT2AHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5500428-A Furyl-substituted purines and adenosine antagonists IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-03-19 US disclosed
US-5300509-A Adenosine antagonists for treating cardiovascular disorders, vasodilation IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-04-05 US disclosed
EP-0544445-A2 Furyl-substituted purines, oxazolopyrimidines and pteridines as adenosine antagonists ZENECA LIMITED (GB) 1993-06-02 EP disclosed