SCHEMBL9835840

SCHEMBL9835840

COC(=O)c1sccc1S(=O)(=O)NC(=NN)Nc1cc(C)cc(C)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 5/20 0.46
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
TAS2R8 Q9NYW2 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL9835836 1.00 EDNRA (0.46) EDNRAKDM4EHSD17B10LMNATSHR
SCHEMBL9833690 0.89 EDNRA (0.46) EDNRAKDM4ETP53MAPTTAS2R8
SCHEMBL9833684 0.89 EDNRA (0.46) EDNRAKDM4ETP53MAPTTAS2R8
SCHEMBL10754167 0.76 EDNRA (0.49) EDNRAKDM4EMAPTPPARGPPARD
SCHEMBL10744651 0.75 EDNRA (0.43) EDNRAHSD17B10MAPTNPC1RAB9A
SCHEMBL9735514 0.73 EDNRA (0.45) EDNRAKDM4ELMNATSHRTP53
SCHEMBL18895700 0.72 EDNRA (0.54) EDNRALMNATSHRTP53MAPT
SCHEMBL10753757 0.71 GAA (0.50) EDNRALMNATSHRMAPTALDH1A1
SCHEMBL11117907 0.71 EDNRA (0.53) EDNRAKDM4ELMNATSHRTP53
SCHEMBL9588694 0.70 EDNRA (0.43) EDNRALMNATP53MAPTMEN1

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