SCHEMBL7807939

SCHEMBL7807939

CSc1cc(=O)c2cc(C)ccc2o1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 3/20 0.56
TP53 P04637 2/20 0.56
CYP3A4 P08684 2/20 0.56
HPGD P15428 2/20 0.56
HSD17B10 Q99714 2/20 0.56
MAPK1 P28482 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
HTT P42858 1/20 0.55
CSNK2A2 P19784 2/20 0.51
CSNK2B P67870 2/20 0.51
CSNK2A1 P68400 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KCNA5 P22460 1/20 0.49
KCNH2 Q12809 1/20 0.49

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
SCHEMBL29171533 0.82 MAPT (0.52) MAPTKDM4EALDH1A1TP53CYP3A4
SCHEMBL27541790 0.81 MAPT (0.55) MAPTKDM4EALDH1A1TP53CYP3A4
SCHEMBL8715608 0.81 GABRP (0.55) MAPTALDH1A1TP53CYP3A4MAPK1
SCHEMBL3281749 0.79 ALDH1A1 (0.58) MAPTKDM4EALDH1A1TP53CYP3A4
SCHEMBL266614 0.78 MAPT (0.63) MAPTKDM4EALDH1A1TP53CYP3A4
SCHEMBL28304255 0.75 MAPT (0.58) MAPTKDM4EALDH1A1TP53CYP3A4
SCHEMBL8773390 0.75 CSNK2A2 (0.62) MAPTKDM4EALDH1A1TP53CYP3A4
SCHEMBL13347724 0.75 MAPT (0.63) MAPTKDM4EALDH1A1TP53CYP3A4
SCHEMBL23334588 0.72 MAPT (0.73) MAPTKDM4EALDH1A1TP53CYP3A4
SCHEMBL7806804 0.72 KCNA5 (0.60) MAPTKDM4EALDH1A1TP53CYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861242-B1 HETEROCYCLIC FUNGICIDES AVENTIS CROPSCIENCE UK LTD (GB) 2001-05-30 EP disclosed
US-6034121-A AGRICULTURE AGREVO UK LIMITED (GB) 2000-03-07 US disclosed
EP-0861242-A1 HETEROCYCLIC FUNGICIDES AgrEvo UK Limited (GB) 1998-09-02 EP disclosed
WO-1997013762-A1 HETEROCYCLIC FUNGICIDES AGREVO UK LIMITED (GB) 1997-04-17 WO disclosed