SCHEMBL9532704

SCHEMBL9532704

Cc1onc(-c2c(Cl)cccc2Cl)c1OC(=O)N(N)c1cc(F)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
SCN9A Q15858 3/20 0.45
POLB P06746 1/20 0.43
GPBAR1 Q8TDU6 2/20 0.43
ATM Q13315 2/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 3/20 0.42
SCN5A Q14524 2/20 0.42
PTGS2 P35354 3/20 0.42
LMNA P02545 3/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL9537784 0.92 TSHR (0.46) TSHRSCN9APOLBGPBAR1ATM
SCHEMBL9534950 0.86 TSHR (0.49) TSHRSCN9AGPBAR1ATMKMT2A
SCHEMBL9533969 0.81 GPBAR1 (0.61) SCN9APOLBGPBAR1ATMKMT2A
SCHEMBL5242545 0.73 ALDH1A1 (0.60) TSHRGPBAR1KMT2AALDH1A1PTGS2
SCHEMBL9533922 0.73 TSHR (0.59) TSHRSCN9APOLBGPBAR1KMT2A
SCHEMBL5242736 0.73 ALDH1A1 (0.58) SCN9APOLBGPBAR1ATMKMT2A
SCHEMBL9536365 0.73 LMNA (0.57) TSHRSCN9APOLBGPBAR1ATM
SCHEMBL9537042 0.69 SMN1; SMN2 (0.54) SCN9APOLBGPBAR1ATMKMT2A
SCHEMBL9535614 0.69 TSHR (0.53) TSHRSCN9APOLBKMT2AALDH1A1
SCHEMBL9537421 0.69 TSHR (0.53) TSHRSCN9AGPBAR1ALDH1A1SCN5A

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