SCHEMBL169899

SCHEMBL169899

C=C(Nc1ccccc1)C1(C(N)=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
GFER P55789 1/20 0.44
TP53 P04637 2/20 0.44
TSHR P16473 2/20 0.44
EPHX1 P07099 1/20 0.44
EPHX2 P34913 1/20 0.44
CDK9 P50750 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
SPHK1 Q9NYA1 6/20 0.43
TGM2 P21980 2/20 0.42
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TYR P14679 1/20 0.41
TAS2R38 P59533 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
KDM1A O60341 1/20 0.41
PLAU P00749 2/20 0.41
F13A1 P00488 1/20 0.39

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
SCHEMBL307975 0.82 SPHK1 (0.55) GAAMAPTGFERTP53TSHR
SCHEMBL9304492 0.74 TSHR (0.54) TP53TSHREPHX1EPHX2CDK9
SCHEMBL106428 0.71 SPHK1 (0.50) TP53TSHREPHX1EPHX2CDK9
SCHEMBL19026945 0.70 SPHK1 (0.50) GAAMAPTGFERTP53TSHR
SCHEMBL459482 0.70 SMN1; SMN2 (0.54) GAAMAPTGFERTP53TSHR
Phenylurea SCHEMBL3258425 0.69 GAA (0.76) GAAMAPTGFERTP53TSHR
Phenylurea SCHEMBL27886541 0.68 GAA (0.83) GAAMAPTGFERTP53TSHR
Phenylurea SCHEMBL54471 0.68 GAA (0.83) GAAMAPTGFERTP53TSHR
Phenylurea SCHEMBL28237284 0.68 GAA (0.83) GAAMAPTGFERTP53TSHR
SCHEMBL5761295 0.68 ALDH1A1 (0.58) GAAMAPTGFERTP53TSHR

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-2426108-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors MethylGene Inc. (CA) 2012-03-07 EP disclosed