SCHEMBL18559231

SCHEMBL18559231

CCn1c(CNc2ccc(F)cc2)nnc1SCC(O)Nc1ccccc1OC

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.57
▸ MAPK1 P28482 3/20 0.57
▸ GAA P10253 2/20 0.54
▸ HPGD P15428 2/20 0.50
▸ LMNA P02545 3/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MAPT P10636 3/20 0.48
▸ NPSR1 Q6W5P4 3/20 0.48
▸ PKM P14618 1/20 0.48
▸ HTT P42858 3/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ SLC27A1 Q6PCB7 2/20 0.47
▸ HSP90AA1 P07900 2/20 0.46
▸ TP53 P04637 1/20 0.44

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
SCHEMBL18559321 0.86 ALDH1A1 (0.60) ALDH1A1MAPK1GAAHPGDLMNA
SCHEMBL18559230 0.82 ALDH1A1 (0.82) ALDH1A1MAPK1HPGDLMNAMEN1
SCHEMBL4205750 0.74 HTT (0.79) ALDH1A1MAPK1GAAHPGDLMNA
SCHEMBL18559350 0.73 ALDH1A1 (1.00) ALDH1A1MAPK1GAAHPGDLMNA
SCHEMBL19368299 0.73 LMNA (0.60) ALDH1A1MAPK1GAAHPGDLMNA
SCHEMBL11888617 0.71 LMNA (0.67) ALDH1A1MAPK1GAAHPGDLMNA
SCHEMBL18559322 0.71 ALDH1A1 (0.80) ALDH1A1MAPK1GAAHPGDLMNA
SCHEMBL18559346 0.71 ALDH1A1 (0.80) ALDH1A1MAPK1GAAHPGDLMNA
SCHEMBL4211196 0.71 ALDH1A1 (0.90) ALDH1A1MAPK1GAAHPGDLMNA
SCHEMBL4206108 0.69 HTT (0.80) ALDH1A1MAPK1GAAHPGDLMNA

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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