SCHEMBL18203027

SCHEMBL18203027

O=c1[nH]c2ccc(-c3c(O)cccc3Cl)cc2[nH]1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 10/20 0.79
▸ CACNG8 Q8WXS5 9/20 0.79
▸ PDE3B Q13370 1/20 0.44
▸ PDE3A Q14432 1/20 0.44
▸ CHEK1 O14757 1/20 0.43
▸ WEE1 P30291 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ PTK6 Q13882 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ DAO P14920 1/20 0.42
▸ HTT P42858 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ GRIK1 P39086 1/20 0.41
▸ GRIA2 P42262 1/20 0.41
▸ GRIA3 P42263 1/20 0.41
▸ GRIA4 P48058 1/20 0.41
▸ GRIK2 Q13002 1/20 0.41
▸ GRIK3 Q13003 1/20 0.41
▸ TERT O14746 1/20 0.41

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
SCHEMBL18190698 0.89 GRIA1 (1.00) GRIA1CACNG8PDE3BPDE3AMAPT
SCHEMBL18190398 0.82 GRIA1 (0.79) GRIA1CACNG8PDE3BPDE3AMAPT
SCHEMBL18190602 0.82 GRIA1 (1.00) GRIA1CACNG8PDE3BPDE3AMAPT
SCHEMBL18190537 0.82 GRIA1 (0.79) GRIA1CACNG8PDE3BPDE3AMAPT
SCHEMBL21900282 0.81 GRIA1 (0.73) GRIA1CACNG8ALDH1A1GRIK1GRIA2
SCHEMBL18190610 0.79 GRIA1 (0.75) GRIA1CACNG8PDE3BPDE3AMAPT
SCHEMBL18190701 0.78 GRIA1 (0.73) GRIA1CACNG8PDE3BPDE3AMAPT
SCHEMBL18190666 0.78 GRIA1 (1.00) GRIA1CACNG8PDE3BPDE3A
SCHEMBL18190563 0.78 GRIA1 (0.73) GRIA1CACNG8PDE3BPDE3AKMT2A
SCHEMBL18190647 0.78 GRIA1 (1.00) GRIA1CACNG8PDE3BPDE3ACHEK1

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
WO-2016176449-A1 BENZIMIDAZOLONE AND BENZOTHIAZOLONE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-11-03 — — WO disclosed
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