Benzylamine

Benzylamine

SCHEMBL1718987

COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)O)cc3n2)cc1OC.NCc1ccccc1

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.82
TSHR P16473 1/20 0.82
MAPK1 P28482 1/20 0.82
CASP1 P29466 1/20 0.82
ALDH1A1 P00352 5/20 0.73
KMT2A Q03164 3/20 0.73
NPSR1 Q6W5P4 1/20 0.73
L3MBTL1 Q9Y468 1/20 0.73
TP53 P04637 2/20 0.65
TDP1 Q9NUW8 1/20 0.65
SMN1; SMN2 Q16637 2/20 0.64
KDM4E B2RXH2 8/20 0.63
HPGD P15428 4/20 0.63
HSD17B10 Q99714 3/20 0.62
THRB P10828 2/20 0.62
RXFP1 Q9HBX9 1/20 0.62
POLB P06746 1/20 0.60
TTR P02766 1/20 0.57
FUBP1 Q96AE4 1/20 0.57
MEN1 O00255 1/20 0.55

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
SCHEMBL4203865 0.91 MAPT (1.00) MAPTTSHRMAPK1CASP1ALDH1A1
Benzylamine SCHEMBL1719112 0.85 KDM4E (0.67) MAPTTSHRMAPK1CASP1ALDH1A1
SCHEMBL1717548 0.85 MAPT (0.76) MAPTTSHRMAPK1CASP1ALDH1A1
SCHEMBL1718989 0.83 MAPT (0.75) MAPTTSHRMAPK1CASP1ALDH1A1
Benzylamine SCHEMBL1719919 0.83 KDM4E (0.72) MAPTTSHRMAPK1CASP1ALDH1A1
SCHEMBL17066247 0.83 MAPT (1.00) MAPTTSHRMAPK1CASP1ALDH1A1
SCHEMBL1718145 0.82 MAPT (0.77) MAPTTSHRMAPK1CASP1ALDH1A1
SCHEMBL17297256 0.80 THRB (0.69) MAPTTSHRMAPK1CASP1ALDH1A1
Benzylamine SCHEMBL1719060 0.79 KDM4E (0.63) MAPTTSHRMAPK1CASP1ALDH1A1
SCHEMBL1719728 0.79 MAPT (0.80) MAPTTSHRMAPK1CASP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506196-B1 PYRAZOLOPYRIMIDINES AS SODIUM CHANNEL INHIBITORS ICAGEN INC (US) 2012-01-18 EP claimed