SCHEMBL11207461

SCHEMBL11207461

Nc1cccc(C(=O)Nc2c(S(=O)(=O)O)cc(O)c3ccccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HDAC1 Q13547 1/20 0.47
KDM4C Q9H3R0 1/20 0.46
PTGS1 P23219 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ULK1 O75385 1/20 0.43
CASP6 P55212 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
MPL P40238 1/20 0.41
HKDC1 Q2TB90 1/20 0.40
KAT6A Q92794 1/20 0.40
ELANE P08246 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
PBRM1 Q86U86 1/20 0.39
PRMT1 Q99873 1/20 0.38

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
SCHEMBL11424878 0.90 KDM4E (0.49) KDM4EALDH1A1HDAC1KDM4CPTGS1
SCHEMBL11440921 0.89 ALDH1A1 (0.48) KDM4EALDH1A1HDAC1KDM4CPTGS1
SCHEMBL11435352 0.88 CASP6 (0.55) HDAC1SMN1; SMN2CASP6CTDSP1MPL
Acetic Acid SCHEMBL11426048 0.86 ALDH1A1 (0.48) KDM4EALDH1A1HDAC1KDM4CPTGS1
SCHEMBL10908295 0.84 KMT2A (0.45) ALDH1A1HSD17B10MPLMEN1MAPT
SCHEMBL11433973 0.84 ALDH1A1 (0.48) KDM4EALDH1A1HDAC1KDM4CPTGS1
SCHEMBL11438930 0.84 KDM4E (0.48) KDM4EALDH1A1HDAC1KDM4CPTGS1
SCHEMBL11339069 0.84 KMT2A (0.53) ALDH1A1HSD17B10MEN1MAPTKMT2A
SCHEMBL11438820 0.82 CASP6 (0.40) SMN1; SMN2CASP6CTDSP1MPLMEN1
SCHEMBL11433569 0.82 MAPT (0.40) CASP6CTDSP1MPLMAPTKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0013784-B1 C-SUBSTITUTED NAPHTHALENEMONOSULFONIC UREIDES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMERICAN CYANAMID COMPANY (US) 1983-02-23 EP disclosed
US-4216165-A Amine precursors to ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 US disclosed