SCHEMBL11427485

SCHEMBL11427485

Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3ccc(O)cc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP6 P55212 1/20 0.48
▸ CTDSP1 Q9GZU7 1/20 0.48
▸ TIMP3 P35625 2/20 0.46
▸ CD40 P25942 1/20 0.45
▸ CD40LG P29965 1/20 0.45
▸ TRPV1 Q8NER1 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ATIC P31939 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HDAC1 Q13547 2/20 0.41
▸ MAPT P10636 5/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ HTT P42858 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL11427658 0.95 CASP6 (0.48) CASP6CTDSP1TIMP3CD40CD40LG
SCHEMBL11433062 0.87 HSD17B10 (0.51) TIMP3CD40CD40LGTRPV1ALDH1A1
SCHEMBL11347634 0.86 TIMP3 (0.61) TIMP3CD40CD40LGTRPV1ALDH1A1
SCHEMBL10905173 0.86 TIMP3 (0.53) CASP6CTDSP1TIMP3CD40CD40LG
SCHEMBL11427944 0.85 MEN1 (0.46) TIMP3CD40CD40LGTRPV1ALDH1A1
SCHEMBL11426200 0.85 MEN1 (0.46) TIMP3CD40CD40LGTRPV1ALDH1A1
SCHEMBL11433595 0.84 TRPV1 (0.45) CASP6CTDSP1CD40CD40LGTRPV1
SCHEMBL11426103 0.83 CD40 (0.66) CASP6TIMP3CD40CD40LGALDH1A1
SCHEMBL11434085 0.82 HSD17B10 (0.51) TIMP3CD40CD40LGTRPV1ALDH1A1
SCHEMBL11335401 0.81 TIMP3 (0.61) TIMP3CD40CD40LGTRPV1ALDH1A1

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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