SCHEMBL27823707

SCHEMBL27823707

CCC(=O)NNn1cnc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP1A2 P05177 1/20 0.51
NPC1 O15118 2/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
LMNA P02545 4/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 2/20 0.45
USP2 O75604 1/20 0.44
ASAH1 Q13510 1/20 0.44
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
APAF1 O14727 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL18991593 0.85 HSD17B10 (0.66) ALOX15HSD17B10CYP3A4CYP2D6CYP2C19
SCHEMBL5407957 0.75 LMNA (0.63) ALOX15HSD17B10CYP3A4CYP2D6CYP2C19
SCHEMBL6234447 0.75 ALOX15 (0.64) ALOX15HSD17B10CYP3A4CYP2D6CYP2C19
SCHEMBL28721775 0.74 ALOX15 (0.43) ALOX15HSD17B10CYP3A4CYP2D6CYP2C19
SCHEMBL6954737 0.73 ALOX15 (0.58) ALOX15HSD17B10CYP3A4CYP2D6CYP2C19
SCHEMBL8419574 0.72 CYP1A2 (0.60) ALOX15HSD17B10CYP3A4CYP2D6CYP2C19
SCHEMBL1685055 0.72 HSD17B10 (0.61) ALOX15HSD17B10CYP3A4CYP2D6CYP2C19
SCHEMBL204727 0.71 ALOX15 (0.64) ALOX15HSD17B10CYP3A4CYP2D6CYP2C19
SCHEMBL707209 0.70 ALOX15 (0.58) ALOX15HSD17B10CYP3A4CYP2D6CYP2C19
SCHEMBL11012986 0.70 NPC1 (0.57) HSD17B10NPC1SMN1; SMN2LMNARAB9A

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
CN-101973942-A Method for synthesizing 2-(1-benzimidazolyl) ethylamine UNIV EAST CHINA NORMAL 2011-02-16 CN claimed
CN-101973942-A Method for synthesizing 2-(1-benzimidazolyl) ethylamine UNIV EAST CHINA NORMAL 2011-02-16 CN disclosed