SCHEMBL29863299

SCHEMBL29863299

COc1ccc(CN(CCO)C(=O)c2n[nH]c3c(Cl)c(Cl)ccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PRKACA P17612 1/20 0.40
PRKACG P22612 1/20 0.40
PRKACB P22694 1/20 0.40
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
LPAR1 Q92633 2/20 0.38
LPAR5 Q9H1C0 1/20 0.38
HSP90AA1 P07900 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 3/20 0.37

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
SCHEMBL22413013 1.00 POLB (0.41) POLBGAAMAPTALDH1A1NPSR1
SCHEMBL14136869 0.71 ALDH1A1 (0.47) POLBGAAMAPTALDH1A1NPSR1
SCHEMBL3614141 0.70 TDP1 (0.54) POLBGAAMAPTALDH1A1NPSR1
SCHEMBL30301447 0.69 ALDH1A1 (0.38) ALDH1A1NPSR1PRKACAPRKACGPRKACB
SCHEMBL28906249 0.69 TSHR (0.46) POLBGAAMAPTALDH1A1NPSR1
SCHEMBL14154861 0.69 ALDH1A1 (0.64) POLBGAAMAPTALDH1A1NPSR1
SCHEMBL13547186 0.68 ALDH1A1 (0.49) POLBGAAMAPTALDH1A1NPSR1
SCHEMBL28853322 0.68 LPAR1 (0.56) POLBGAAMAPTALDH1A1LPAR1
SCHEMBL13319148 0.67 TSPO (0.51) POLBGAAMAPTALDH1A1NPSR1
SCHEMBL30597441 0.66 CSNK2A2 (0.41) GAAPRKAB2PRKAG1PRKAA2PRKAA1

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
CN-114901279-A Inhibitors of cGAS for the treatment of autoinflammatory diseases and cancer metastasis 洛克菲勒大学 2022-08-12 CN disclosed