SCHEMBL7675232

SCHEMBL7675232

NC(=O)/C(=C/C=O)Nc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
GFER P55789 1/20 0.47
TP53 P04637 2/20 0.47
TSHR P16473 2/20 0.47
EPHX1 P07099 1/20 0.47
EPHX2 P34913 1/20 0.47
CDK9 P50750 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
TGM2 P21980 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TYR P14679 1/20 0.44
TAS2R38 P59533 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
KDM1A O60341 1/20 0.43
CYP1A2 P05177 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CASP3 P42574 1/20 0.41

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
SCHEMBL7675238 1.00 GAA (0.47) GAAMAPTGFERTP53TSHR
SCHEMBL5833441 0.78 MAPT (0.54) GAAMAPTGFERTP53TSHR
SCHEMBL28317750 0.74 MAPT (0.53) GAAMAPTGFERTP53EPHX1
SCHEMBL1242953 0.71 SMN1; SMN2 (0.58) GAAMAPTGFERTP53TSHR
SCHEMBL28147643 0.71 NAPRT (0.54) GAAMAPTTP53TSHREPHX1
Phenylurea SCHEMBL54471 0.71 GAA (0.83) GAAMAPTGFERTP53TSHR
Phenylurea SCHEMBL27886541 0.71 GAA (0.83) GAAMAPTGFERTP53TSHR
Phenylurea SCHEMBL28237284 0.71 GAA (0.83) GAAMAPTGFERTP53TSHR
Phenylurea SCHEMBL28620153 0.69 GAA (0.79) GAAMAPTGFERTP53TSHR
Phenylurea SCHEMBL7531144 0.69 GAA (0.79) 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
US-6414013-B1 KINASE INHIBITORS; ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-07-02 US disclosed