SCHEMBL9254816

SCHEMBL9254816

CCCCCC/C=C/Oc1ccc(C(=O)Nc2ccccc2OCc2nnn[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.44
CYSLTR2 Q9NS75 9/20 0.42
CYSLTR1 Q9Y271 9/20 0.42
GAA P10253 2/20 0.41
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PTPN1 P18031 2/20 0.38

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
SCHEMBL9255356 1.00 PLK1 (0.44) PLK1CYSLTR2CYSLTR1GAARAB9A
SCHEMBL9254823 0.89 CYSLTR2 (0.52) PLK1CYSLTR2CYSLTR1GAARAB9A
SCHEMBL9713817 0.87 PLK1 (0.59) PLK1CYSLTR2CYSLTR1GAA
SCHEMBL9857433 0.79 SMPD1 (0.52) PLK1CYSLTR2CYSLTR1MEN1KMT2A
SCHEMBL9132501 0.78 PLK1 (0.52) PLK1CYSLTR2CYSLTR1
SCHEMBL9132741 0.78 PLK1 (0.52) PLK1CYSLTR2CYSLTR1
SCHEMBL9257603 0.76 CYSLTR1 (0.51) PLK1CYSLTR2CYSLTR1RAB9ANPC1
SCHEMBL9133034 0.75 PLK1 (0.52) PLK1CYSLTR2CYSLTR1
SCHEMBL9551229 0.74 CYSLTR2 (0.62) CYSLTR2CYSLTR1
SCHEMBL10868241 0.74 CYSLTR2 (0.62) CYSLTR2CYSLTR1

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-5446058-A Leukotriene antagonists, 5-alpha-reductase inhibitors ONO PHARMACEUTICAL CO., LTD. (JP) 1995-08-29 US claimed
EP-0463638-B1 Aminophenyl derivatives ONO PHARMACEUTICAL CO (JP) 1995-05-24 EP claimed
EP-0463638-A1 Aminophenyl derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1992-01-02 EP claimed