SCHEMBL9833684

SCHEMBL9833684

COC(=O)c1sccc1S(=O)(=O)N/C(=N\N)Nc1nc(C)cc(C)n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 3/20 0.46
MAPT P10636 5/20 0.40
TAS2R8 Q9NYW2 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39
CCR2 P41597 1/20 0.38
CCKBR P32239 1/20 0.38
KCNH2 Q12809 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
SCHEMBL9833690 1.00 EDNRA (0.46) EDNRAMAPTTAS2R8PPARGPPARD
SCHEMBL9835840 0.89 EDNRA (0.46) EDNRAMAPTTAS2R8PPARGPPARD
SCHEMBL9835836 0.89 EDNRA (0.46) EDNRAMAPTTAS2R8PPARGPPARD
SCHEMBL10754167 0.87 EDNRA (0.49) EDNRAMAPTPPARGPPARDPPARA
SCHEMBL9735514 0.82 EDNRA (0.45) EDNRAMAPTTAS2R8PPARGPPARD
SCHEMBL10744651 0.82 EDNRA (0.43) EDNRAMAPTTAS2R8PPARGPPARD
SCHEMBL9834934 0.81 CA1 (0.47) MAPTMEN1KMT2AKDM4E
SCHEMBL9834922 0.81 CA1 (0.47) MAPTMEN1KMT2AKDM4E
SCHEMBL10753757 0.80 GAA (0.50) EDNRAMAPTPPARGPPARDPPARA
SCHEMBL10747976 0.80 EDNRA (0.43) EDNRAMAPTTAS2R8PPARGPPARD

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
EP-0343462-B1 AMINOGUANIDINO AZINES BAYER AG (DE) 1991-12-11 EP claimed
EP-0343462-B1 AMINOGUANIDINO AZINES BAYER AG (DE) 1991-12-11 EP disclosed