SCHEMBL9850045

SCHEMBL9850045

CN(C)C(C#N)c1ccco1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.40
ALDH1A1 P00352 5/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KMT2A Q03164 7/20 0.34
POLB P06746 7/20 0.34
PKM P14618 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN7 P35236 1/20 0.34
BLM P54132 1/20 0.34
ESR2 Q92731 1/20 0.34
HPGD P15428 4/20 0.34
HSD17B10 Q99714 4/20 0.34
KDM4E B2RXH2 3/20 0.34
OPRM1 P35372 3/20 0.33
OPRD1 P41143 3/20 0.33
MEN1 O00255 3/20 0.33
MAPT P10636 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL10921931 0.74 POLB (0.41) ALOX5ALDH1A1L3MBTL1SMN1; SMN2KMT2A
SCHEMBL8935129 0.72
SCHEMBL8392647 0.72 KMT2A (0.40) ALOX5ALDH1A1L3MBTL1SMN1; SMN2KMT2A
SCHEMBL3853218 0.70 ALOX5 (0.53) ALOX5ALDH1A1L3MBTL1SMN1; SMN2KMT2A
SCHEMBL5582099 0.68
SCHEMBL9669855 0.68
SCHEMBL6496460 0.68
SCHEMBL27536763 0.68
SCHEMBL3447644 0.68 TRPA1 (0.46) ALDH1A1L3MBTL1SMN1; SMN2KMT2APOLB
SCHEMBL1275688 0.68 TRPA1 (0.46) ALDH1A1L3MBTL1SMN1; SMN2KMT2APOLB

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-0446097-A1 Substituted etylamines, process for their preparation, their use as therapeutic agents and intermediates for their synthesis JOUVEINAL S.A. (FR) 1991-09-11 EP disclosed