SCHEMBL3706828

SCHEMBL3706828

CC1(N)C(=O)N(c2ccccc2)N=C1c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
CES2 O00748 5/20 0.40
ALDH1A1 P00352 6/20 0.40
GFER P55789 1/20 0.40
KMT2A Q03164 6/20 0.39
MAPT P10636 5/20 0.39
MEN1 O00255 4/20 0.39
GAA P10253 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP1A2 P05177 1/20 0.39
CHRM2 P08172 1/20 0.39
CYP3A4 P08684 1/20 0.39
CHRM1 P11229 1/20 0.39
TSHR P16473 1/20 0.39
PTGS1 P23219 1/20 0.39
DRD3 P35462 1/20 0.39
APP P05067 1/20 0.39
LOX P28300 2/20 0.38
LOXL3 P58215 1/20 0.38

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
SCHEMBL17290523 0.81 SMN1; SMN2 (0.46) SMN1; SMN2CES2ALDH1A1GFERKMT2A
SCHEMBL10339505 0.78 SMN1; SMN2 (0.42) SMN1; SMN2CES2ALDH1A1GFERKMT2A
SCHEMBL17290519 0.77 SMN1; SMN2 (0.43) SMN1; SMN2CES2ALDH1A1GFERKMT2A
SCHEMBL6931466 0.77 SMN1; SMN2 (0.41) SMN1; SMN2CES2ALDH1A1GFERKMT2A
SCHEMBL17291128 0.73 CES2 (0.40) SMN1; SMN2CES2ALDH1A1KMT2AMAPT
SCHEMBL8489121 0.72 APP (0.43) SMN1; SMN2CES2ALDH1A1KMT2AMAPT
SCHEMBL6930285 0.72 SMN1; SMN2 (0.43) SMN1; SMN2CES2ALDH1A1GFERKMT2A
SCHEMBL6773284 0.70 SMN1; SMN2 (0.44) SMN1; SMN2CES2ALDH1A1GFERKMT2A
SCHEMBL420793 0.69 SMN1; SMN2 (0.62) SMN1; SMN2CES2ALDH1A1GFERKMT2A
SCHEMBL17295353 0.69 CES2 (0.38) SMN1; SMN2CES2ALDH1A1KMT2AMAPT

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
WO-2010092322-A1 METHODS OF ASSAYING FOR TETRAHYDROCANNABINOL OXTOX LIMITED (GB) 2010-08-19 WO disclosed