SCHEMBL28085332

SCHEMBL28085332

O=C(O)c1nc2cc[nH]c2cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 2/20 0.50
▸ GRIN3B O60391 2/20 0.50
▸ GRIK1 P39086 2/20 0.50
▸ GRIA1 P42261 2/20 0.50
▸ GRIA2 P42262 2/20 0.50
▸ GRIA3 P42263 2/20 0.50
▸ GRIA4 P48058 2/20 0.50
▸ GRIN1 Q05586 2/20 0.50
▸ GRIN2A Q12879 2/20 0.50
▸ GRIK2 Q13002 2/20 0.50
▸ GRIK3 Q13003 2/20 0.50
▸ GRIN2B Q13224 2/20 0.50
▸ GRIN2C Q14957 2/20 0.50
▸ GRIK4 Q16099 2/20 0.50
▸ GRIK5 Q16478 2/20 0.50
▸ GRIN3A Q8TCU5 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ MAOB P27338 4/20 0.44
▸ ALDH1A1 P00352 2/20 0.41
▸ HSD17B10 Q99714 2/20 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
SCHEMBL21060383 0.80 KMO (0.44) GRIN2DGRIN3BGRIK1GRIA1GRIA2
SCHEMBL10323102 0.78 GLP1R (0.49) ALDH1A1HSD17B10KDM4EHPGDMAPT
SCHEMBL5823297 0.78 ALDH1A1 (0.41) GRIN2DGRIN3BGRIK1GRIA1GRIA2
SCHEMBL18984392 0.75 GRIN2D (0.41) GRIN2DGRIN3BGRIK1GRIA1GRIA2
SCHEMBL8802100 0.72 DYRK1A (0.47) GRIN2DGRIN3BGRIK1GRIA1GRIA2
SCHEMBL30556744 0.72 DYRK1A (0.47) GRIN2DGRIN3BGRIK1GRIA1GRIA2
SCHEMBL19701194 0.72 CSNK2A1 (0.43) MAOBALDH1A1HSD17B10KDM4EHPGD
SCHEMBL2777042 0.70 ALDH1A1 (0.59) GRIN2DGRIN3BGRIK1GRIA1GRIA2
SCHEMBL24984444 0.69 PTGS2 (0.42) MAOBENPP2KMODYRK1ACDK9
SCHEMBL4513173 0.69 PTPRC (0.56) MAOBALDH1A1HSD17B10KDM4EHPGD

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
CN-106117193-A New Hete rocyclic derivatives and the application in nervous system disease is treated thereof 诺华股份有限公司 2016-11-16 — — CN disclosed
CN-103403001-B Heterocyclic derivatives and their use in the treatment of neurological disorders 诺瓦提斯公司 2016-08-17 — — CN disclosed
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