SCHEMBL11435576

SCHEMBL11435576

Nc1ccc(C(=O)Nc2cccc3ccc(S(=O)(=O)O)c(O)c23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD40 P25942 3/20 0.50
CD40LG P29965 3/20 0.50
ENPP2 Q13822 2/20 0.43
CASP6 P55212 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
HDAC1 Q13547 1/20 0.41
CYP1A2 P05177 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
ATIC P31939 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
APEX1 P27695 2/20 0.40
TIMP3 P35625 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL11440724 0.88 HSD17B10 (0.48) CD40CD40LGENPP2HDAC1CYP1A2
SCHEMBL11350583 0.87 CD40 (0.57) CD40CD40LGENPP2CYP1A2ALDH1A1
SCHEMBL10908252 0.87 CD40 (0.57) CD40CD40LGENPP2ALDH1A1HSD17B10
SCHEMBL11500762 0.85 CD40 (0.53) CD40CD40LGENPP2CASP6CTDSP1
SCHEMBL11428597 0.84 CD40 (0.45) CD40CD40LGENPP2HDAC1CYP1A2
SCHEMBL11440899 0.84 CD40 (0.45) CD40CD40LGENPP2CYP1A2ALDH1A1
SCHEMBL19020654 0.84 CD40 (0.69) CD40CD40LGCASP6CTDSP1HDAC1
SCHEMBL11433131 0.84 CD40 (0.69) CD40CD40LGCASP6CTDSP1ALDH1A1
SCHEMBL11436100 0.82 CD40 (0.49) CD40CD40LGENPP2CASP6CTDSP1
SCHEMBL11426641 0.81 CASP6 (0.46) CD40CD40LGCASP6CTDSP1HDAC1

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