SCHEMBL9737836

SCHEMBL9737836

NS(=O)(=O)c1cc(C(=O)O)cc(NCCc2ccc3ccccc3c2)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.47
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
BLM P54132 1/20 0.47
SLC12A2 P55011 1/20 0.47
HIF1A Q16665 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CA12 O43570 4/20 0.47
CA1 P00915 4/20 0.47
CA9 Q16790 3/20 0.47
PTGES2 Q9H7Z7 2/20 0.46
CA4 P22748 1/20 0.42
PTGES O14684 2/20 0.40
ALOX5 P09917 2/20 0.40
SLC16A3 O15427 2/20 0.39

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
SCHEMBL11784477 0.89 CA2 (0.49) CA2KDM4EUSP2ALDH1A1LMNA
SCHEMBL9736371 0.86 PTGES2 (0.44) CA2KDM4EUSP2ALDH1A1LMNA
SCHEMBL9738561 0.86 CA2 (0.48) CA2KDM4EUSP2ALDH1A1LMNA
SCHEMBL9737278 0.84 CA2 (0.68) CA2KDM4EUSP2ALDH1A1LMNA
SCHEMBL9736997 0.82 CA2 (0.44) CA2KDM4EUSP2ALDH1A1LMNA
SCHEMBL11790017 0.80 CA2 (0.54) CA2KDM4EUSP2ALDH1A1LMNA
SCHEMBL11787401 0.80 CA2 (0.52) CA2KDM4EUSP2ALDH1A1LMNA
SCHEMBL11788983 0.80 CISD1 (0.55) CA2KDM4EUSP2ALDH1A1LMNA
SCHEMBL2879247 0.79 CA2 (0.68) CA2KDM4EUSP2ALDH1A1LMNA
SCHEMBL11794979 0.79 CA2 (0.53) CA2KDM4EUSP2ALDH1A1LMNA

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-5145867-A NAPHTHYLALKYLAMINO-SUBSTITUTED SULFAMOYLBENZOIC ACID DERIVATIVES, AND THE USE THEREOF AS MEDICINES HOECHST AKTIENGESELLSCHAFT (DE) 1992-09-08 US disclosed