SCHEMBL11428212

SCHEMBL11428212

Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cccc(O)c23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 2/20 0.56
▸ AURKA O14965 1/20 0.56
▸ TIMP3 P35625 4/20 0.47
▸ MEN1 O00255 6/20 0.46
▸ KMT2A Q03164 6/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ TDP1 Q9NUW8 3/20 0.46
▸ USP2 O75604 2/20 0.46
▸ RECQL P46063 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ CASP6 P55212 1/20 0.45
▸ CTDSP1 Q9GZU7 1/20 0.45
▸ CD40 P25942 2/20 0.44
▸ CD40LG P29965 2/20 0.44
▸ PRKD3 O94806 2/20 0.43
▸ CDC7 O00311 1/20 0.43
▸ EEF2K O00418 1/20 0.43
▸ PLK4 O00444 1/20 0.43
▸ DYRK3 O43781 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43

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
SCHEMBL11433078 0.95 AURKB (0.52) AURKBAURKATIMP3MEN1KMT2A
SCHEMBL11429278 0.91 AURKA (0.50) AURKBAURKATIMP3MEN1KMT2A
SCHEMBL11758756 0.89 TIMP3 (0.54) AURKBAURKATIMP3MEN1KMT2A
SCHEMBL1413171 0.89 AURKB (0.52) AURKBAURKATIMP3MEN1KMT2A
SCHEMBL11209218 0.88 AURKB (0.53) AURKBAURKATIMP3MEN1KMT2A
SCHEMBL11582287 0.87 AURKB (0.52) AURKBAURKATIMP3MEN1KMT2A
SCHEMBL10908486 0.87 TIMP3 (0.55) AURKBAURKATIMP3MEN1KMT2A
SCHEMBL11338955 0.87 TIMP3 (0.64) AURKBAURKATIMP3MEN1KMT2A
SCHEMBL11436491 0.85 HDAC1 (0.46) AURKBAURKATIMP3MEN1KMT2A
SCHEMBL11427718 0.85 HDAC1 (0.46) AURKBAURKATIMP3MEN1KMT2A

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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