SCHEMBL11427718

SCHEMBL11427718

Nc1ccc(C(=O)Nc2cccc3c(O)ccc(S(=O)(=O)O)c23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.46
▸ CD40 P25942 4/20 0.45
▸ CD40LG P29965 4/20 0.45
▸ TIMP3 P35625 4/20 0.45
▸ CASP6 P55212 1/20 0.45
▸ CTDSP1 Q9GZU7 1/20 0.45
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ TDP1 Q9NUW8 3/20 0.43
▸ USP2 O75604 2/20 0.43
▸ RECQL P46063 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ AURKA O14965 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ POLB P06746 2/20 0.42

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
SCHEMBL11436491 0.95 HDAC1 (0.46) HDAC1CD40CD40LGTIMP3CASP6
SCHEMBL11433078 0.90 AURKB (0.52) HDAC1CD40CD40LGTIMP3CASP6
SCHEMBL11440694 0.88 HDAC1 (0.51) HDAC1TIMP3MEN1KMT2ATDP1
SCHEMBL10907629 0.87 TIMP3 (0.52) CD40CD40LGTIMP3MEN1KMT2A
SCHEMBL11347735 0.87 TIMP3 (0.60) CD40CD40LGTIMP3MEN1KMT2A
SCHEMBL11429278 0.86 AURKA (0.50) HDAC1CD40CD40LGTIMP3CASP6
SCHEMBL11758756 0.86 TIMP3 (0.54) CD40CD40LGTIMP3CASP6CTDSP1
SCHEMBL11428212 0.85 AURKB (0.56) HDAC1CD40CD40LGTIMP3CASP6
SCHEMBL11427847 0.84 MEN1 (0.47) CD40CD40LGTIMP3MEN1KMT2A
SCHEMBL11434102 0.84 MEN1 (0.49) CD40CD40LGTIMP3MEN1KMT2A

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
US-4216165-A Amine precursors to ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 — — US disclosed
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