SCHEMBL9535349

SCHEMBL9535349

CCCCCCCCCCCCCCCCCCNC(=O)Oc1c(-c2c(Cl)cccc2Cl)noc1CC

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.46
SCN9A Q15858 1/20 0.46
ALDH1A1 P00352 1/20 0.44
GHSR Q92847 1/20 0.44
EPHX2 P34913 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MGLL Q99685 1/20 0.42

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
SCHEMBL9535030 0.93 GHSR (0.46) SCN5ASCN9AALDH1A1GHSREPHX2
SCHEMBL9538135 0.87 SMN1; SMN2 (0.48) SCN5ASCN9AALDH1A1GHSRLMNA
SCHEMBL9533695 0.86 NR1H4 (0.46) ALDH1A1GHSR
SCHEMBL9422725 0.82 GHSR (0.59) ALDH1A1GHSRSMN1; SMN2
SCHEMBL9536660 0.82 GPBAR1 (0.47) ALDH1A1MGLL
SCHEMBL9534540 0.81 SMN1; SMN2 (0.47) SCN5ASCN9AALDH1A1GHSRSMN1; SMN2
SCHEMBL9533421 0.80 SCN9A (0.49) SCN5ASCN9AALDH1A1GHSRLMNA
SCHEMBL9538122 0.79 SCN9A (0.50) SCN5ASCN9AALDH1A1GHSR
SCHEMBL9533943 0.78 GHSR (0.54) SCN5ASCN9AGHSR
SCHEMBL9536053 0.75 SCN9A (0.53) SCN5ASCN9AALDH1A1GHSRLMNA

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-0573883-A1 Utilization of 3 substituted aryl-5-alkyl-isoxazole-4-carboxylic acid derivatives against endoparasites new 3-substituted aryl-5-alkyl-isoxazole-4-carboxylic acid derivatives and process for their preparation BAYER AG (DE) 1993-12-15 EP disclosed