SCHEMBL9537606

SCHEMBL9537606

Cc1onc(-c2c(F)cccc2Cl)c1OC(=O)Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 2/20 0.47
PRNP P04156 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
LMNA P02545 3/20 0.46
EPAS1 Q99814 2/20 0.46
ATM Q13315 2/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
GPBAR1 Q8TDU6 1/20 0.45
NPC1 O15118 1/20 0.44
SCN9A Q15858 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
SCHEMBL9533716 0.94 KMT2A (0.51) KDM4ENPSR1SMN1; SMN2KMT2ALMNA
SCHEMBL9534976 0.86 EPAS1 (0.57) SMN1; SMN2KMT2ALMNAEPAS1HPGD
SCHEMBL9535763 0.83 KMT2A (0.58) KDM4ESMN1; SMN2KMT2APOLBLMNA
SCHEMBL9536365 0.79 LMNA (0.57) KDM4ESMN1; SMN2KMT2APOLBLMNA
SCHEMBL5242736 0.79 ALDH1A1 (0.58) KDM4ESMN1; SMN2KMT2APOLBLMNA
SCHEMBL9537042 0.79 SMN1; SMN2 (0.54) SMN1; SMN2KMT2APOLBLMNAATM
SCHEMBL29058656 0.75 EPAS1 (0.78) KDM4ENPSR1SMN1; SMN2POLBPRNP
SCHEMBL9533158 0.74 SMN1; SMN2 (0.52) NPSR1SMN1; SMN2KMT2APOLBLMNA
SCHEMBL9536336 0.72 SCN9A (0.54) KDM4ESMN1; SMN2KMT2APRNPRXFP1
SCHEMBL27324747 0.71 LMNA (0.52) KDM4ESMN1; SMN2KMT2APOLBLMNA

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