SCHEMBL9736980

SCHEMBL9736980

CCN(c1cc(C(=O)O)cc(S(N)(=O)=O)c1-c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
HSD17B10 Q99714 3/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 3/20 0.36
USP2 O75604 2/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
BLM P54132 1/20 0.36
SLC12A2 P55011 1/20 0.36
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 2/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35

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
SCHEMBL9737103 0.87 CA2 (0.39) CA2CA1CA9HSD17B10KDM4E
SCHEMBL9739873 0.86 KDM4E (0.36) CA2CA1CA9HSD17B10KDM4E
SCHEMBL9737828 0.84 ALOX5 (0.40) CA2CA1CA9HSD17B10KDM4E
SCHEMBL9738317 0.83 KDM4E (0.52) CA2CA1CA9HSD17B10KDM4E
SCHEMBL573875 0.75 CA2 (0.46) CA2CA1CA9HSD17B10KDM4E
SCHEMBL9736354 0.73 PTGES (0.36) CA2CA1CA9HSD17B10KDM4E
SCHEMBL9738547 0.72 CA2 (0.39) CA2CA1CA9HSD17B10KDM4E
SCHEMBL9736997 0.70 CA2 (0.44) CA2CA1CA9HSD17B10KDM4E
SCHEMBL9736989 0.70 CYP2D6 (0.40) CA2HSD17B10KDM4EALDH1A1TSHR
SCHEMBL9737264 0.69 ALDH1A1 (0.52) CA2CA1CA9HSD17B10KDM4E

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