SCHEMBL8010069

SCHEMBL8010069

O=[N+]([O-])C=Cc1ccc(O)c(I)c1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.72
ABL1 P00519 1/20 0.72
ABL2 P42684 1/20 0.72
VCP P55072 5/20 0.60
GALR2 O43603 1/20 0.60
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60
MAPT P10636 1/20 0.60
MAPK1 P28482 1/20 0.60
HTT P42858 1/20 0.60
SYK P43405 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
FBP1 P09467 15/20 0.58
NPC1 O15118 1/20 0.47
MTOR P42345 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL2052285 0.84 EGFR (1.00) EGFRABL1ABL2VCPGALR2
SCHEMBL2052283 0.84 EGFR (1.00) EGFRABL1ABL2VCPGALR2
SCHEMBL29371330 0.84 EGFR (1.00) EGFRABL1ABL2VCPGALR2
SCHEMBL3667079 0.81 EGFR (0.93) EGFRABL1ABL2VCPGALR2
SCHEMBL3667077 0.81 EGFR (0.93) EGFRABL1ABL2VCPGALR2
SCHEMBL8015814 0.80 FBP1 (0.53) EGFRABL1ABL2VCPGALR2
SCHEMBL793577 0.79 FBP1 (0.58) EGFRABL1ABL2VCPGALR2
SCHEMBL8012584 0.79 EGFR (0.72) EGFRABL1ABL2VCPGALR2
SCHEMBL2027152 0.79 EGFR (0.72) EGFRABL1ABL2VCPGALR2
SCHEMBL13773077 0.79 EGFR (0.72) EGFRABL1ABL2VCPGALR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6162614-A Sugar ester derivatives, reagents for measurement of hydrolase activity and methods for measurement of hydrolase activity TOYO BOSEKI KABUSHIKI KAISHA (JP) 2000-12-19 US disclosed
EP-0346912-B1 Sugar ester derivatives, reagents for measurement of hydrolase activity and methods for measurement of hydrolase activity TOYO BOSEKI (JP) 1997-12-17 EP disclosed
EP-0346912-A2 Sugar ester derivatives, reagents for measurement of hydrolase activity and methods for measurement of hydrolase activity Toyo Boseki Kabushiki Kaisha (JP) 1989-12-20 EP disclosed