SCHEMBL9533937

SCHEMBL9533937

Cc1onc(-c2ccccc2)c1OC(=O)Nc1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
FPR3 P25089 1/20 0.47
FPR2 P25090 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
HKDC1 Q2TB90 1/20 0.47
MCOLN3 Q8TDD5 1/20 0.47
GHSR Q92847 1/20 0.47

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
SCHEMBL9535755 0.90 ALDH1A1 (0.52) ALDH1A1MAPTTP53MAPK1SMN1; SMN2
SCHEMBL9536170 0.88 MAPT (0.52) ALDH1A1MAPTKMT2AMEN1TP53
SCHEMBL9533918 0.85 MAPT (0.64) ALDH1A1MAPTKMT2AMEN1TP53
SCHEMBL9537454 0.79 GHSR (0.50) ALDH1A1KMT2AMEN1SMN1; SMN2GHSR
SCHEMBL9533388 0.78 TSHR (0.51) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL5242546 0.78 KMT2A (0.56) KMT2AMEN1MAPK1SMN1; SMN2HTT
SCHEMBL28515752 0.77 RAB9A (0.51) ALDH1A1MAPTKMT2AMEN1TDP1
SCHEMBL27495331 0.76 KMT2A (0.55) ALDH1A1KMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL9535701 0.75 KMT2A (0.54) KMT2AMEN1MAPK1SMN1; SMN2HTT
SCHEMBL9533884 0.75 KMT2A (0.59) ALDH1A1MAPTKMT2AMEN1TDP1

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