SCHEMBL14068366

SCHEMBL14068366

COc1cc(C)c(Cl)cc1NC(=O)Cn1c(=O)n(CC(=O)NC2Cc3ccccc3C2)c(=O)c2ccccc21

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 15/20 0.70
MAPT P10636 2/20 0.54
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL3312288 0.94 S1PR2 (0.79) S1PR2MAPT
SCHEMBL14068349 0.93 S1PR2 (0.73) S1PR2MAPTALDH1A1SMN1; SMN2
SCHEMBL14068491 0.91 S1PR2 (0.71) S1PR2ALDH1A1SMN1; SMN2
SCHEMBL3312182 0.88 S1PR2 (0.68) S1PR2ALDH1A1SMN1; SMN2
SCHEMBL14068487 0.87 S1PR2 (0.75) S1PR2MAPT
SCHEMBL14068373 0.87 S1PR2 (0.67) S1PR2MAPT
SCHEMBL3311240 0.86 S1PR2 (0.83) S1PR2MAPT
SCHEMBL14068357 0.85 S1PR2 (0.61) S1PR2MAPTALDH1A1SMN1; SMN2
SCHEMBL14068482 0.85 S1PR2 (0.64) S1PR2MAPTALDH1A1SMN1; SMN2
SCHEMBL14068353 0.85 S1PR2 (0.71) S1PR2MAPT

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-2008107436-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2008-09-12 WO disclosed