SCHEMBL9537784

SCHEMBL9537784

Cc1onc(-c2c(Cl)cccc2Cl)c1OC(=O)N(N)c1ccc(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
SCN9A Q15858 2/20 0.45
POLB P06746 1/20 0.43
ATM Q13315 2/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 4/20 0.42
PTGS2 P35354 2/20 0.42
LMNA P02545 3/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
GLA P06280 2/20 0.41
PKM P14618 1/20 0.41
SCN5A Q14524 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL9532704 0.92 TSHR (0.46) TSHRSCN9APOLBATMKMT2A
SCHEMBL9534950 0.86 TSHR (0.49) TSHRSCN9AATMKMT2AALDH1A1
SCHEMBL9533969 0.79 GPBAR1 (0.61) SCN9APOLBATMKMT2AALDH1A1
SCHEMBL5242545 0.73 ALDH1A1 (0.60) TSHRKMT2AALDH1A1PTGS2LMNA
SCHEMBL9533922 0.73 TSHR (0.59) TSHRSCN9APOLBKMT2AALDH1A1
SCHEMBL5242736 0.73 ALDH1A1 (0.58) SCN9APOLBATMKMT2AALDH1A1
SCHEMBL9536365 0.73 LMNA (0.57) TSHRSCN9APOLBATMKMT2A
SCHEMBL9537042 0.69 SMN1; SMN2 (0.54) SCN9APOLBATMKMT2AALDH1A1
SCHEMBL9535614 0.69 TSHR (0.53) TSHRSCN9APOLBKMT2AALDH1A1
SCHEMBL9537421 0.69 TSHR (0.53) TSHRSCN9AALDH1A1PTGS2LMNA

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