SCHEMBL9254823

SCHEMBL9254823

CCCCC/C=C/COc1ccc(C(=O)Nc2ccccc2OCc2nnn[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 10/20 0.52
CYSLTR1 Q9Y271 10/20 0.52
PLK1 P53350 1/20 0.45
RAB9A P51151 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CACNA1H O95180 1/20 0.39
CACNA1B Q00975 1/20 0.39

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 0.89 PLK1 (0.44) CYSLTR2CYSLTR1PLK1RAB9AMEN1
SCHEMBL9254816 0.89 PLK1 (0.44) CYSLTR2CYSLTR1PLK1RAB9AMEN1
SCHEMBL9713817 0.88 PLK1 (0.59) CYSLTR2CYSLTR1PLK1GAACACNA1H
SCHEMBL6029183 0.81 GAA (0.59) CYSLTR2CYSLTR1PLK1RAB9AMEN1
SCHEMBL9132501 0.78 PLK1 (0.52) CYSLTR2CYSLTR1PLK1CACNA1HCACNA1B
SCHEMBL9132741 0.78 PLK1 (0.52) CYSLTR2CYSLTR1PLK1CACNA1HCACNA1B
SCHEMBL9857433 0.78 SMPD1 (0.52) CYSLTR2CYSLTR1PLK1MEN1KMT2A
SCHEMBL9257603 0.78 CYSLTR1 (0.51) CYSLTR2CYSLTR1PLK1RAB9ANPC1
SCHEMBL9132493 0.76 CYSLTR2 (0.49) CYSLTR2CYSLTR1PLK1RAB9AMEN1
SCHEMBL9132483 0.76 CYSLTR2 (0.49) CYSLTR2CYSLTR1PLK1RAB9AMEN1

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