Benzylamine

Benzylamine

SCHEMBL9443252

NCc1ccccc1.NCc1ccccc1.OC(=S)CC(C(O)=S)c1nc2ccccc2s1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.47
HPGD P15428 3/20 0.45
UBE2T Q9NPD8 1/20 0.42
ASIC3 Q9UHC3 1/20 0.42
PKM P14618 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
ALOX5 P09917 1/20 0.39
MAPT P10636 2/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.38
APEX1 P27695 1/20 0.38
CSNK1D P48730 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37

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
SCHEMBL402776 0.91 HPGD (0.53) LOXL2HPGDUBE2TASIC3PKM
Methylamine SCHEMBL9443278 0.90 LOXL2 (0.51) LOXL2HPGDUBE2TASIC3PKM
Ammonia Solution, Strong SCHEMBL7032984 0.90 HPGD (0.51) LOXL2HPGDUBE2TASIC3PKM
SCHEMBL9443159 0.88 LOXL2 (0.57) LOXL2HPGDUBE2TASIC3PKM
Dimethylamine SCHEMBL10597488 0.86 HPGD (0.48) LOXL2HPGDPKMCYP1A2CYP2C9
Diethylamine SCHEMBL9443315 0.82 HPGD (0.45) LOXL2HPGDPKMCYP1A2CYP2C9
SCHEMBL10597806 0.82 LOXL2 (0.45) LOXL2HPGDUBE2TASIC3PKM
Icosylamine SCHEMBL9443139 0.82 LOXL2 (0.45) LOXL2HPGDUBE2TASIC3PKM
Trolamine SCHEMBL10598976 0.81 HPGD (0.44) LOXL2HPGDPKMCYP1A2CYP2C9
Cyclohexylamine SCHEMBL9443337 0.81 HPGD (0.41) LOXL2HPGDPKMCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5198482-A Benzothiazole carboxylic acid amine salt CIBA-GEIGY CORPORATION (US) 1993-03-30 US disclosed
EP-0375614-A1 Corrosion-inhibiting coating compositions CIBA-GEIGY AG (CH) 1990-06-27 EP disclosed