SCHEMBL9770930

SCHEMBL9770930

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.33
ALDH1A1 P00352 3/20 0.33
GAA P10253 3/20 0.33
POLB P06746 2/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PRNP P04156 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
TDP1 Q9NUW8 3/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
RAB9A P51151 1/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL9770948 0.90 KMT2A (0.34) KMT2AALDH1A1GAAPOLBMEN1
SCHEMBL9771013 0.85 POLB (0.33) KMT2AALDH1A1GAAPOLBCRHBP
SCHEMBL9824588 0.78 KMT2A (0.38) KMT2AALDH1A1GAAPOLBMEN1
SCHEMBL9824583 0.78 KMT2A (0.38) KMT2AALDH1A1GAAPOLBMEN1
SCHEMBL9770889 0.77 ALDH1A1 (0.34) KMT2AALDH1A1GAAMEN1MAPT
SCHEMBL9770833 0.75 ALDH1A1 (0.32) KMT2AALDH1A1GAA
SCHEMBL9770983 0.74 POLB (0.31) ALDH1A1GAAPOLBMAPTHTT
SCHEMBL9824119 0.69 GAA (0.40) KMT2AALDH1A1GAAPOLBMEN1
SCHEMBL9824127 0.69 GAA (0.40) KMT2AALDH1A1GAAPOLBMEN1
SCHEMBL9770933 0.69 MAPT (0.44) KMT2AALDH1A1GAAPOLBMEN1

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-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
US-5039331-A Condensed heterocyclic derivatives and herbicides NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1991-08-13 US disclosed