SCHEMBL9709367

SCHEMBL9709367

O=c1c2cc3c(cc2[nH]c2cccc(F)c12)OCO3

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
MTOR P42345 1/20 0.54

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
SCHEMBL9709265 0.78 GAA (0.58) NPC1MTOR
SCHEMBL4219929 0.74 ALDH1A1 (0.61) NPC1
SCHEMBL338729 0.70 NPC1 (1.00) NPC1MTOR
SCHEMBL29532115 0.70 NPC1 (1.00) NPC1MTOR
SCHEMBL31061623 0.70 NPC1 (1.00) NPC1MTOR
SCHEMBL21479878 0.69 MAPK10 (0.45) NPC1MTOR
SCHEMBL20346767 0.69 PDE5A (0.41) NPC1MTOR
SCHEMBL20346681 0.68 PDE5A (0.41) NPC1MTOR
SCHEMBL15918659 0.67 KDM4E (0.47) NPC1MTOR
SCHEMBL12836459 0.67 FEN1 (0.52) NPC1

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-0471516-A1 Tricyclic heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-19 EP disclosed