SCHEMBL9737832

SCHEMBL9737832

CC(Nc1cc(C(=O)O)cc(S(N)(=O)=O)c1-c1ccccc1)c1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 10/20 0.41
MMP9 P14780 1/20 0.40
CA2 P00918 3/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
SLC12A2 P55011 1/20 0.40
HIF1A Q16665 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LDHA P00338 3/20 0.39
LDHB P07195 2/20 0.39
P2RX3 P56373 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 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
SCHEMBL9736366 0.86 HPGDS (0.46) TPH1MMP9CA2KDM4EUSP2
SCHEMBL9738556 0.86 SCN1A (0.41) TPH1MMP9CA2KDM4EUSP2
SCHEMBL9737275 0.84 KDM4E (0.57) TPH1MMP9CA2KDM4EUSP2
SCHEMBL9736989 0.82 CYP2D6 (0.40) CA2KDM4EUSP2ALDH1A1LMNA
SCHEMBL9737836 0.75 CA2 (0.47) CA2KDM4EUSP2ALDH1A1LMNA
SCHEMBL11795232 0.73 KDM4E (0.62) CA2KDM4EUSP2ALDH1A1LMNA
SCHEMBL11787401 0.71 CA2 (0.52) CA2KDM4EUSP2ALDH1A1LMNA
SCHEMBL11787217 0.71 CA2 (0.42) CA2KDM4EUSP2ALDH1A1LMNA
SCHEMBL11784464 0.71 LDHA (0.41) CA2KDM4EUSP2ALDH1A1LMNA
SCHEMBL11788983 0.71 CISD1 (0.55) 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