SCHEMBL9737828

SCHEMBL9737828

CCN(c1ccc2ccccc2c1)c1cc(C(=O)O)cc(S(N)(=O)=O)c1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.40
PTGES O14684 2/20 0.40
CA2 P00918 5/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
USP2 O75604 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
HIF1A Q16665 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
BLM P54132 1/20 0.39
SLC12A2 P55011 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NSD2 O96028 1/20 0.38
ESR1 P03372 1/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
RECQL P46063 1/20 0.38
ESR2 Q92731 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
SCHEMBL9738547 0.88 CA2 (0.39) ALOX5PTGESCA2ALDH1A1KDM4E
SCHEMBL9736354 0.87 PTGES (0.36) ALOX5PTGESCA2ALDH1A1KDM4E
SCHEMBL9737264 0.85 ALDH1A1 (0.52) ALOX5PTGESCA2ALDH1A1KDM4E
SCHEMBL9736980 0.84 CA2 (0.37) CA2ALDH1A1KDM4EUSP2LMNA
SCHEMBL573875 0.76 CA2 (0.46) ALOX5PTGESCA2ALDH1A1KDM4E
SCHEMBL11787224 0.74 NSD2 (0.44) CA2ALDH1A1KDM4EUSP2LMNA
SCHEMBL11795238 0.74 ALDH1A1 (0.57) ALOX5PTGESCA2ALDH1A1KDM4E
SCHEMBL11784469 0.73 NSD2 (0.42) CA2ALDH1A1KDM4EUSP2LMNA
SCHEMBL9739873 0.71 KDM4E (0.36) CA2ALDH1A1KDM4EUSP2LMNA
SCHEMBL9737103 0.71 CA2 (0.39) CA2ALDH1A1KDM4EUSP2LMNA

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