Sugi Predict

Sugi Predict / Compounds / SCHEMBL7469451

SCHEMBL7469451

SCHEMBL7469451

CC1=Nc2ccccc2C(Cl)C1=O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 6/20 0.40
▸ NOS3 P29474 4/20 0.40
▸ NOS2 P35228 4/20 0.40
▸ S100A4 P26447 1/20 0.33
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL19032124 0.78 NOS1 (0.40) NOS1NOS3NOS2MEN1KMT2A
SCHEMBL5542352 0.72 S100A4 (0.33) NOS1NOS3NOS2S100A4MEN1
SCHEMBL15551123 0.71 NOS1 (0.43) NOS1NOS3NOS2KMT2A
SCHEMBL28595766 0.69 NOS3 (0.36) NOS1NOS3NOS2
SCHEMBL28095819 0.66 KDM4E (0.37) MEN1KMT2A
SCHEMBL11244859 0.64 NOS1 (0.33) NOS1NOS3NOS2
SCHEMBL12352022 0.64 NOS1 (0.37) NOS1NOS3NOS2
SCHEMBL13945520 0.64 NOS1 (0.37) NOS1NOS3NOS2
SCHEMBL12427427 0.63 NOS1 (0.36) NOS1NOS3NOS2MEN1KMT2A
SCHEMBL12037658 0.62 GAA (0.65) NOS1NOS3NOS2MEN1KMT2A

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
EP-1177176-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 — — EP disclosed
WO-2000064876-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 — — WO disclosed