SCHEMBL9533158

SCHEMBL9533158

CCCCCCCCCCCCCCCCOC(=O)Oc1c(-c2c(F)cccc2Cl)noc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 2/20 0.50
TP53 P04637 1/20 0.50
LMNA P02545 2/20 0.49
SCN9A Q15858 2/20 0.49
KMT2A Q03164 3/20 0.49
ATM Q13315 1/20 0.49
ALDH1A1 P00352 4/20 0.48
POLB P06746 2/20 0.48
TSHR P16473 2/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
ALOX15 P16050 1/20 0.48
NPC1 O15118 1/20 0.47
ESR1 P03372 1/20 0.47
GAA P10253 2/20 0.46
HSD17B10 Q99714 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SCN5A Q14524 1/20 0.46

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
SCHEMBL9532934 0.89 GLA (0.49) SMN1; SMN2MAPTLMNASCN9AKMT2A
SCHEMBL9534075 0.89 SMN1; SMN2 (0.43) SMN1; SMN2MAPTTP53LMNASCN9A
SCHEMBL5242736 0.80 ALDH1A1 (0.58) SMN1; SMN2LMNASCN9AKMT2AATM
SCHEMBL9536365 0.80 LMNA (0.57) SMN1; SMN2MAPTTP53LMNASCN9A
SCHEMBL9537042 0.79 SMN1; SMN2 (0.54) SMN1; SMN2MAPTTP53LMNASCN9A
SCHEMBL9534838 0.79 MAPT (0.56) SMN1; SMN2MAPTTP53LMNAKMT2A
SCHEMBL9535763 0.78 KMT2A (0.58) SMN1; SMN2LMNASCN9AKMT2AATM
SCHEMBL9535329 0.76 GLA (0.47) SMN1; SMN2MAPTLMNASCN9AKMT2A
SCHEMBL2775568 0.74 MAPT (0.74) SMN1; SMN2MAPTTP53LMNAKMT2A
SCHEMBL9537606 0.74 KDM4E (0.50) SMN1; SMN2MAPTTP53LMNASCN9A

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