SCHEMBL18559321

SCHEMBL18559321

CCn1c(CNc2ccc(F)cc2)nnc1SCC(O)Nc1ccc(OC)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.60
▸ GAA P10253 6/20 0.60
▸ MAPT P10636 5/20 0.60
▸ HTT P42858 3/20 0.60
▸ HPGD P15428 2/20 0.60
▸ ALOX15 P16050 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ MAPK1 P28482 2/20 0.59
▸ NPSR1 Q6W5P4 3/20 0.50
▸ LMNA P02545 3/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ GLA P06280 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45

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
SCHEMBL18559231 0.86 ALDH1A1 (0.57) ALDH1A1GAAMAPTHTTHPGD
SCHEMBL18559322 0.81 ALDH1A1 (0.80) ALDH1A1GAAMAPTHTTHPGD
SCHEMBL18559346 0.81 ALDH1A1 (0.80) ALDH1A1GAAMAPTHTTHPGD
SCHEMBL4211196 0.81 ALDH1A1 (0.90) ALDH1A1GAAMAPTHTTHPGD
SCHEMBL11888617 0.73 LMNA (0.67) ALDH1A1GAAMAPTHTTHPGD
SCHEMBL4205750 0.72 HTT (0.79) ALDH1A1GAAMAPTHTTHPGD
SCHEMBL4206108 0.71 HTT (0.80) ALDH1A1GAAMAPTHTTHPGD
SCHEMBL18559230 0.71 ALDH1A1 (0.82) ALDH1A1MAPTHPGDMAPK1LMNA
SCHEMBL4209292 0.70 HTT (0.89) ALDH1A1GAAMAPTHTTHPGD
SCHEMBL4215730 0.69 ALDH1A1 (0.71) ALDH1A1GAAMAPTHTTHPGD

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
US-9578881-B2 Compositions for inhibition of insect sensing VANDERBILT UNIVERSITY (US) 2017-02-28 — — US disclosed
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