SCHEMBL21900281

SCHEMBL21900281

COc1c(C(=O)O)cccc1-c1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 6/20 0.47
▸ CACNG8 Q8WXS5 4/20 0.47
▸ KMT2A Q03164 4/20 0.43
▸ GRIK1 P39086 3/20 0.42
▸ GRIA2 P42262 2/20 0.42
▸ GRIA3 P42263 2/20 0.42
▸ GRIA4 P48058 2/20 0.42
▸ GRIK2 Q13002 2/20 0.42
▸ GRIK3 Q13003 2/20 0.42
▸ TERT O14746 1/20 0.41
▸ POLB P06746 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ DHODH Q02127 3/20 0.40
▸ GAA P10253 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PDE3B Q13370 1/20 0.38

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
SCHEMBL18190715 0.89 ROCK2 (0.46) GRIA1CACNG8KMT2ATERTPOLB
SCHEMBL21900283 0.83 GRIA1 (0.52) GRIA1CACNG8KMT2AGRIK1GRIA2
SCHEMBL18190663 0.80 GRIA1 (0.52) GRIA1CACNG8KMT2AGRIK1GRIA2
SCHEMBL18190668 0.77 GRIA1 (0.49) GRIA1CACNG8KMT2AGRIK1GRIA2
SCHEMBL18190642 0.76 GRIA1 (0.49) GRIA1CACNG8KMT2AMEN1
SCHEMBL4632581 0.76 HNF4A (0.58) KMT2APOLBMEN1KDM4EGAA
SCHEMBL30394743 0.76 HNF4A (0.58) KMT2APOLBMEN1KDM4EGAA
SCHEMBL30728866 0.75 TUBB4A (0.49) KMT2APOLBMEN1KDM4EMAPT
SCHEMBL21900278 0.75 GRIA1 (0.73) GRIA1CACNG8KMT2AGRIK1GRIA2
SCHEMBL17799595 0.74 HNF4A (0.56) KMT2APOLBMEN1KDM4EGAA

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
EP-3288936-B1 BENZIMIDAZOLONE AND BENZOTHIAZOLONE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-05-06 — — EP claimed
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