SCHEMBL9493695

SCHEMBL9493695

CN(C)C(C#N)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
ADRB2 P07550 1/20 0.40
ALDH1A1 P00352 3/20 0.40
AOC3 Q16853 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 2/20 0.37
MAPK1 P28482 2/20 0.37
HIF1A Q16665 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
MAPT P10636 1/20 0.36
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
CYP19A1 P11511 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BRD4 O60885 1/20 0.34
FFAR2 O15552 1/20 0.34

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
SCHEMBL14330644 0.80 GAA (0.40) GAAADRB2ALDH1A1AOC3L3MBTL1
SCHEMBL1995041 0.79 ADRB2 (0.40) GAAADRB2AOC3TSHRMAPK1
SCHEMBL6340375 0.79 SMN1; SMN2 (0.42) ALDH1A1AOC3L3MBTL1TDP1LMNA
SCHEMBL9491754 0.79 SLC6A3 (0.46) ALDH1A1LMNASMN1; SMN2
SCHEMBL1275688 0.78 TRPA1 (0.46) GAAALDH1A1AOC3L3MBTL1TSHR
SCHEMBL3447644 0.78 TRPA1 (0.46) GAAALDH1A1AOC3L3MBTL1TSHR
SCHEMBL10958098 0.77 AOC3 (0.43) GAAALDH1A1AOC3TSHRTDP1
SCHEMBL11229208 0.75 GAA (0.42) GAAADRB2ALDH1A1AOC3L3MBTL1
SCHEMBL7818955 0.73 CHRM2 (0.43) GAAALDH1A1AOC3L3MBTL1BRD4
SCHEMBL11234788 0.73 MAPT (0.39) ALDH1A1L3MBTL1MAPK1TDP1MAPT

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
EP-0361990-B1 DISUBSTITUTED BENZYLAMINES, THE PROCESS FOR THEIR PREPARATION, THEIR USE AS DRUGS AND THEIR SYNTHESES INTERMEDIATES JOUVEINAL S.A. (FR) 1993-02-24 EP disclosed
EP-0361990-A1 Disubstituted benzylamines, the process for their preparation, their use as drugs and their syntheses intermediates JOUVEINAL S.A. (FR) 1990-04-04 EP disclosed