SCHEMBL9770948

SCHEMBL9770948

COC(=O)CSc1cc(N=c2sc(=O)n3n2CCC=C3)ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.34
ALDH1A1 P00352 4/20 0.34
GAA P10253 3/20 0.33
MAPT P10636 7/20 0.32
MEN1 O00255 3/20 0.32
SMN1; SMN2 Q16637 6/20 0.32
LMNA P02545 5/20 0.32
TDP1 Q9NUW8 5/20 0.32
HTT P42858 4/20 0.32
POLB P06746 3/20 0.32
PRNP P04156 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
TP53 P04637 2/20 0.32
MAPK1 P28482 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
HSD17B10 Q99714 2/20 0.32

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
SCHEMBL9770930 0.90 KMT2A (0.33) KMT2AALDH1A1GAAMAPTMEN1
SCHEMBL9770833 0.85 ALDH1A1 (0.32) KMT2AALDH1A1GAA
SCHEMBL9824588 0.84 KMT2A (0.38) KMT2AALDH1A1GAAMAPTMEN1
SCHEMBL9824583 0.84 KMT2A (0.38) KMT2AALDH1A1GAAMAPTMEN1
SCHEMBL9770986 0.77 ALDH1A1 (0.34) KMT2AALDH1A1GAAMEN1SMN1; SMN2
SCHEMBL9771013 0.76 POLB (0.33) KMT2AALDH1A1GAAPOLB
SCHEMBL9824119 0.75 GAA (0.40) KMT2AALDH1A1GAAMEN1SMN1; SMN2
SCHEMBL9824127 0.75 GAA (0.40) KMT2AALDH1A1GAAMEN1SMN1; SMN2
SCHEMBL9770845 0.74 POLB (0.32) ALDH1A1GAAMAPTHTTPOLB
SCHEMBL9372159 0.73 CYP1A2 (0.32) ALDH1A1GAALMNATDP1CYP1A2

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-5039331-A Condensed heterocyclic derivatives and herbicides NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1991-08-13 US claimed
EP-0304920-A2 Condensed heterocyclic derivatives, process for their production and herbicides NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-03-01 EP claimed