Benzylamine

Benzylamine

SCHEMBL1719919

NCc1ccccc1.O=C(O)c1cc2nc(-c3ccncc3)cc(C(F)(F)F)n2n1

nearest known ligand 0.72

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.72
HSD17B10 Q99714 3/20 0.72
ALDH1A1 P00352 7/20 0.64
SMN1; SMN2 Q16637 4/20 0.59
TTR P02766 1/20 0.58
APOBEC3A P31941 1/20 0.58
HTT P42858 1/20 0.58
HPGD P15428 4/20 0.56
TP53 P04637 3/20 0.56
MAPK1 P28482 2/20 0.55
CASP1 P29466 2/20 0.55
MAPT P10636 1/20 0.55
TSHR P16473 1/20 0.55
THRB P10828 1/20 0.55
LMNA P02545 1/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
POLB P06746 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
Benzylamine SCHEMBL1719112 0.86 KDM4E (0.67) KDM4EHSD17B10ALDH1A1SMN1; SMN2TTR
Benzylamine SCHEMBL1719060 0.86 KDM4E (0.63) KDM4EHSD17B10ALDH1A1SMN1; SMN2TTR
SCHEMBL3278525 0.85 KDM4E (1.00) KDM4EHSD17B10ALDH1A1SMN1; SMN2TTR
SCHEMBL1718629 0.83 HPGD (0.68) KDM4EHSD17B10ALDH1A1SMN1; SMN2HPGD
Benzylamine SCHEMBL1718987 0.83 MAPT (0.82) KDM4EHSD17B10ALDH1A1SMN1; SMN2TTR
SCHEMBL1719920 0.81 KDM4E (0.66) KDM4EHSD17B10ALDH1A1SMN1; SMN2HPGD
SCHEMBL3284626 0.78 KDM4E (1.00) KDM4EHSD17B10ALDH1A1SMN1; SMN2TTR
SCHEMBL14478857 0.78 TP53 (0.86) KDM4EHSD17B10ALDH1A1SMN1; SMN2HPGD
SCHEMBL1719145 0.77 KDM4E (0.80) KDM4EHSD17B10ALDH1A1SMN1; SMN2TTR
SCHEMBL6030712 0.77 KDM4E (0.80) KDM4EHSD17B10ALDH1A1SMN1; SMN2TTR

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