SCHEMBL21900283

SCHEMBL21900283

Cc1c(C(=O)O)cccc1-c1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 7/20 0.52
▸ CACNG8 Q8WXS5 5/20 0.52
▸ GRIK1 P39086 3/20 0.48
▸ GRIA2 P42262 2/20 0.48
▸ GRIA3 P42263 2/20 0.48
▸ GRIA4 P48058 2/20 0.48
▸ GRIK2 Q13002 2/20 0.45
▸ GRIK3 Q13003 2/20 0.45
▸ KMT2A Q03164 1/20 0.43
▸ PDE3B Q13370 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ MCL1 Q07820 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40

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
SCHEMBL18190668 0.85 GRIA1 (0.49) GRIA1CACNG8GRIK1GRIA2GRIA3
SCHEMBL20838850 0.85 GRIA1 (0.49) GRIA1CACNG8GRIK1GRIA2GRIA3
SCHEMBL18190719 0.84 MAPT (0.52) GRIA1CACNG8KMT2AALDH1A1HPGD
SCHEMBL18190663 0.83 GRIA1 (0.52) GRIA1CACNG8GRIK1GRIA2GRIA3
SCHEMBL21900281 0.83 GRIA1 (0.47) GRIA1CACNG8GRIK1GRIA2GRIA3
SCHEMBL18190550 0.81 GRIA1 (0.69) GRIA1CACNG8GRIK1GRIA2GRIA3
SCHEMBL21900278 0.81 GRIA1 (0.73) GRIA1CACNG8GRIK1GRIA2GRIA3
SCHEMBL18190616 0.80 SMYD3 (0.50) GRIA1CACNG8KMT2APOLBALDH1A1
SCHEMBL18190596 0.79 TP53 (0.47) GRIA1CACNG8KMT2APOLBALDH1A1
SCHEMBL21973786 0.78 GRIA1 (0.56) GRIA1CACNG8GRIK1GRIA2GRIA3

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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