SCHEMBL8558742

SCHEMBL8558742

Cc1cc(N(C)S(C)(=O)=O)ccc1S(=O)(=O)Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 5/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
POLB P06746 1/20 0.36
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 1/20 0.35
STAT1 P42224 1/20 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
SCHEMBL21359083 0.84 MAPT (0.44) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL17790348 0.75 NPSR1 (0.41) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL9464475 0.75 NPSR1 (0.44) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL8488793 0.72 GRIN1 (0.40) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL3066016 0.72 MAPT (0.47) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL13345042 0.71 NPSR1 (0.44) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL1371755 0.71 NPSR1 (0.44) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL692131 0.71 ALDH1A1 (0.47) MAPTKMT2ALMNAALDH1A1L3MBTL1
SCHEMBL11348441 0.71 TRPV4 (0.41) ALDH1A1L3MBTL1GAATP53TRPV4
SCHEMBL6523291 0.71 L3MBTL1 (0.46) LMNAALDH1A1L3MBTL1TRPV4SMN1; SMN2

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
US-5767283-A CHEMICAL INTERMEDIATE FOR 7-N-ORGANOSULFONYL-1H-INDOLE DERIVATIVE ANTITUMOR AGENTS; NONTOXIC EISAI CO., LTD. (JP) 1998-06-16 US disclosed
US-5721246-A ANTITUMOR AGENTS; LOW TOXICITY EISAI CO., LTD. (JP) 1998-02-24 US disclosed