SCHEMBL3900534

SCHEMBL3900534

N#Cc1ccc(C(=O)CCCCOc2cccc(C#N)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
GSK3B P49841 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMPD1 P17405 1/20 0.46
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
MMP2 P08253 1/20 0.45
RAB9A P51151 1/20 0.44

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
SCHEMBL3894625 0.96 ALDH1A1 (0.50) MMP3ALDH1A1MAPTGSK3BL3MBTL1
SCHEMBL14131971 0.92 GSK3B (0.50) MAPTHDAC1HDAC2GSK3BL3MBTL1
SCHEMBL3899346 0.88 PKM (0.50) GSK3BL3MBTL1
SCHEMBL3911504 0.84 THRA (0.46) ALDH1A1MAPTGSK3BL3MBTL1THRA
SCHEMBL4839630 0.83 FFAR1 (0.53) MMP2
SCHEMBL4932550 0.80 MMP3 (0.47) MMP3HDAC1HDAC2SMPD1
SCHEMBL7388461 0.80 TBXAS1 (0.56) HRH1
SCHEMBL1780120 0.80 MAPT (0.56) MMP3ALDH1A1MAPTHDAC1HDAC2
SCHEMBL3902858 0.80 RAB9A (0.58) MAPTSMPD1RAB9A
SCHEMBL3898501 0.79 FFAR1 (0.54) MMP2

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
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 EP disclosed