SCHEMBL9534540

SCHEMBL9534540

CCCCCCCCCCCCCCCCCCNC(=O)Oc1c(-c2c(F)cccc2Cl)noc1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
SCN9A Q15858 3/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.43
GHSR Q92847 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 2/20 0.43
ATM Q13315 1/20 0.43
ESR1 P03372 1/20 0.43
SCN5A Q14524 2/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
NR1H4 Q96RI1 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
SCHEMBL9533695 0.94 NR1H4 (0.46) GHSRALDH1A1NR1H4
SCHEMBL9538135 0.86 SMN1; SMN2 (0.48) SMN1; SMN2SCN9AKMT2AMEN1L3MBTL1
SCHEMBL9536417 0.86 GPBAR1 (0.46) L3MBTL1ALDH1A1NR1H4
SCHEMBL9533125 0.81 KMT2A (0.48) SMN1; SMN2SCN9AKMT2AMEN1GHSR
SCHEMBL9535349 0.81 SCN5A (0.46) SMN1; SMN2SCN9AGHSRALDH1A1SCN5A
SCHEMBL9535030 0.80 GHSR (0.46) SMN1; SMN2SCN9AGHSRALDH1A1SCN5A
SCHEMBL9535597 0.73 NR1H4 (0.53) GHSRPOLBNR1H4
SCHEMBL9533158 0.72 SMN1; SMN2 (0.52) SMN1; SMN2SCN9AKMT2AL3MBTL1NPC1
SCHEMBL9536660 0.71 GPBAR1 (0.47) ALDH1A1MAPT
SCHEMBL9534075 0.71 SMN1; SMN2 (0.43) SMN1; SMN2SCN9AKMT2AL3MBTL1NPC1

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