SCHEMBL30296294

SCHEMBL30296294

O=[N+]([O-])c1cc(Cl)c(F)cc1Oc1ccc2nonc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MERTK Q12866 1/20 0.42
▸ EPAS1 Q99814 4/20 0.41
▸ ARNT P27540 3/20 0.41
▸ HSPB1 P04792 2/20 0.40
▸ PDE7A Q13946 1/20 0.39
▸ MAPT P10636 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TTR P02766 1/20 0.36
▸ PPOX P50336 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35

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
SCHEMBL30296282 1.00 MERTK (0.42) MERTKEPAS1ARNTHSPB1PDE7A
SCHEMBL26132877 0.91 ARNT (0.39) MERTKEPAS1ARNTHSPB1PDE7A
SCHEMBL11007687 0.81 PDE7A (0.60) HSPB1PDE7AMAPTSMN1; SMN2TDP1
SCHEMBL30296504 0.79 HTR2A (0.35) EPAS1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL30050147 0.77 MAPT (0.49) MERTKHSPB1PDE7AMAPTSMN1; SMN2
SCHEMBL30296710 0.74 MPO (0.38) EPAS1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL11017217 0.72 PIN1 (0.44) MERTKEPAS1ARNTPDE7AMAPT
SCHEMBL30050734 0.70 MERTK (0.37) MERTKEPAS1HSPB1PDE7AMAPT
SCHEMBL29197501 0.70 GRM5 (0.38) MERTKEPAS1HSPB1PDE7AMAPT
SCHEMBL30879410 0.69 ALDH1A1 (0.46) HSPB1PDE7AMAPTSMN1; SMN2TDP1

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-4419203-A1 TRICYCLIC GPR65 MODULATORS Pathios Therapeutics Limited (GB) 2024-08-28 — — EP disclosed
WO-2023067322-A1 TRICYCLIC GPR65 MODULATORS Pathios Therapeutics Limited (GB) 2023-04-27 — — WO disclosed
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