SCHEMBL11436100

SCHEMBL11436100

Nc1ccc(C(=O)Nc2cccc3cc(O)cc(S(=O)(=O)O)c23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD40 P25942 3/20 0.49
CD40LG P29965 3/20 0.49
CASP6 P55212 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
HDAC1 Q13547 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TRPV1 Q8NER1 1/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
ATIC P31939 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TIMP3 P35625 2/20 0.42
APEX1 P27695 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
USP2 O75604 1/20 0.40
RECQL P46063 1/20 0.40
ENPP2 Q13822 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
SCHEMBL11442547 0.89 HSD17B10 (0.48) CD40CD40LGHDAC1ALDH1A1HSD17B10
SCHEMBL11343060 0.87 TIMP3 (0.56) CD40CD40LGALDH1A1HSD17B10TRPV1
SCHEMBL10907834 0.87 CD40 (0.56) CD40CD40LGALDH1A1HSD17B10TRPV1
SCHEMBL11430984 0.85 CD40 (0.45) CD40CD40LGHDAC1ALDH1A1HSD17B10
SCHEMBL11427803 0.85 CD40 (0.45) CD40CD40LGALDH1A1HSD17B10CYP1A2
SCHEMBL11439481 0.84 CD40 (0.68) CD40CD40LGCASP6CTDSP1ALDH1A1
SCHEMBL19020654 0.83 CD40 (0.69) CD40CD40LGCASP6CTDSP1HDAC1
SCHEMBL11435576 0.82 CD40 (0.50) CD40CD40LGCASP6CTDSP1HDAC1
SCHEMBL11433595 0.82 TRPV1 (0.45) CD40CD40LGCASP6CTDSP1HDAC1
SCHEMBL11343005 0.81 KMT2A (0.62) CD40CD40LGALDH1A1HSD17B10TRPV1

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