SCHEMBL9770845

SCHEMBL9770845

O=C(CSc1cc(N=c2sc(=O)n3n2CCC=C3)c(F)cc1Cl)OC1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.32
ALDH1A1 P00352 3/20 0.31
HPGD P15428 2/20 0.31
HTT P42858 1/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL9770983 0.91 POLB (0.31) POLBALDH1A1HPGDHTTTP53
SCHEMBL8562173 0.88 ALDH1A1 (0.32) POLBALDH1A1HPGDHTTTP53
SCHEMBL9770833 0.88 ALDH1A1 (0.32) ALDH1A1GAA
SCHEMBL8562171 0.88 ALDH1A1 (0.32) POLBALDH1A1HPGDHTTTP53
SCHEMBL9770986 0.87 ALDH1A1 (0.34) ALDH1A1HPGDGAATSHR
SCHEMBL10583196 0.82 ALDH1A1 (0.32) POLBALDH1A1HPGDHTTTP53
SCHEMBL10583190 0.82 ALDH1A1 (0.32) POLBALDH1A1HPGDHTTTP53
SCHEMBL9771013 0.79 POLB (0.33) POLBALDH1A1GAA
SCHEMBL9770889 0.78 ALDH1A1 (0.34) ALDH1A1HPGDGAAMAPTTSHR
SCHEMBL9770975 0.77

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