SCHEMBL8520714

SCHEMBL8520714

O=C=NC1(N=C=O)C=CC(c2cccc(Cl)c2)=CC1Cl

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.31
NOTUM Q6P988 1/20 0.30
IDO1 P14902 2/20 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
SCHEMBL1628431 0.76 NOTUM (0.38) PGRNOTUMIDO1
SCHEMBL4603856 0.75 ALOX5 (0.38) PGRNOTUMIDO1
SCHEMBL10410660 0.65 ALDH1A1 (0.37) NOTUM
SCHEMBL8520712 0.62 SLC9A1 (0.33) IDO1
SCHEMBL10343328 0.60 ALOX5 (0.52) PGRNOTUM
SCHEMBL817554 0.59 ALOX5 (0.65) PGRNOTUMIDO1
SCHEMBL31222672 0.59 ALOX5 (0.65) PGRNOTUMIDO1
SCHEMBL21091939 0.57 PGR (0.38) PGRNOTUMIDO1
Hydrochloric Acid SCHEMBL31070804 0.57 ALOX5 (0.62) NOTUMIDO1
SCHEMBL29629014 0.57 ALOX5 (0.62) PGRNOTUMIDO1

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-5859135-A Aqueous coating compositions comprising functional group-containing crosslinkable resins AKZO NOBEL NV (NL) 1999-01-12 US disclosed