SCHEMBL8948723

SCHEMBL8948723

O=C=Nc1ccc(Cl)c2c1OCC2=O

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP3A4 P08684 1/20 0.30

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
SCHEMBL91637 0.71 CES1 (0.40)
SCHEMBL8948530 0.71 ADORA2A (0.41) TDP1
SCHEMBL8948573 0.70 TDP1 (0.33) MAPK1TDP1CYP3A4
SCHEMBL8948539 0.66 MAPK1 (0.33) MAPK1TDP1CYP3A4
SCHEMBL30954241 0.65 PSMB5 (0.33)
SCHEMBL11189590 0.65 CES1 (0.36) CYP3A4
SCHEMBL1969003 0.64 TDP1 (0.47) MAPK1TDP1CYP3A4
SCHEMBL8948774 0.64 CYP3A4 (0.35) MAPK1TDP1CYP3A4
SCHEMBL86812 0.63 PDE7A (0.40) MAPK1
SCHEMBL11849090 0.62 CYP3A4 (0.46) MAPK1TDP1CYP3A4

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
US-5521147-A HERBICIDES FMC CORPORATION (US) 1996-05-28 US disclosed
WO-1995005079-A1 3-(BENZOFURAN-7-YL)-6-HALOALKYLURACILS FMC CORPORATION (US) 1995-02-23 WO disclosed