SCHEMBL11433094

SCHEMBL11433094

Nc1ccc(C(=O)Nc2ccc3c(S(=O)(=O)O)cccc3c2O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.46
CASP6 P55212 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
CD40 P25942 2/20 0.45
CD40LG P29965 2/20 0.45
CYP1A2 P05177 3/20 0.43
HDAC1 Q13547 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HSD17B10 Q99714 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
APEX1 P27695 1/20 0.41
HPGD P15428 1/20 0.41
ATIC P31939 1/20 0.41
TIMP3 P35625 2/20 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
SCHEMBL11436219 0.88 HSD17B10 (0.52) TTRCD40CD40LGCYP1A2HDAC1
SCHEMBL11798039 0.88 TTR (0.46) TTRCASP6CTDSP1CD40CD40LG
SCHEMBL11205429 0.86 TIMP3 (0.56) CD40CD40LGCYP1A2MEN1KMT2A
SCHEMBL10908939 0.86 CD40 (0.52) TTRCASP6CTDSP1CD40CD40LG
SCHEMBL11427596 0.86 HDAC1 (0.48) CASP6CTDSP1CD40CD40LGCYP1A2
SCHEMBL11426641 0.85 CASP6 (0.46) CASP6CTDSP1CD40CD40LGCYP1A2
SCHEMBL11438686 0.84 HPSE (0.43) TTRCD40CD40LGCYP1A2MEN1
SCHEMBL11425717 0.84 HPSE (0.46) TTRCD40CD40LGCYP1A2MEN1
SCHEMBL11423070 0.83 CD40 (0.66) CASP6CTDSP1CD40CD40LGMEN1
SCHEMBL11758756 0.82 TIMP3 (0.54) TTRCASP6CTDSP1CD40CD40LG

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