SCHEMBL8313828

SCHEMBL8313828

C=CCN1c2ccccc2C(C)(C)NS1(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.44
TSHR P16473 2/20 0.39
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
CA2 P00918 1/20 0.38
MAPT P10636 5/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALPL P05186 3/20 0.36
ALPG P10696 3/20 0.36
POLB P06746 3/20 0.36
ALPI P09923 2/20 0.36
MAPK1 P28482 2/20 0.36
THRB P10828 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL8314617 0.87 LMNA (0.37) GAAMAPTMEN1KMT2APOLB
SCHEMBL8315357 0.78 GAA (0.42) GAATSHRCA12CA9CA2
SCHEMBL13158679 0.72 CA12 (0.41) GAATSHRCA12CA9CA2
SCHEMBL8317764 0.69 CA12 (0.38) GAATSHRCA12CA9CA2
SCHEMBL8316610 0.68 OPRL1 (0.42) GAACA12CA9CA2L3MBTL1
SCHEMBL8315782 0.65 CA12 (0.35) GAACA12CA9CA2PRCP
SCHEMBL8314203 0.65 HTT (0.38) GAATSHRMAPTMEN1KMT2A
SCHEMBL25502419 0.64 GAA (0.58) GAATSHRMAPTMEN1KMT2A
SCHEMBL10532082 0.64 PRCP (0.39) GAATSHRMAPTMEN1KMT2A
SCHEMBL29851768 0.64 PRCP (0.39) GAATSHRMAPTMEN1KMT2A

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-5929072-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY LIMITED (GB) 1999-07-27 US disclosed
EP-0897921-A1 Benzothiadiazinyl-indole derivatives and their use as serotonin receptor ligands ELI LILLY AND COMPANY LIMITED (GB) 1999-02-24 EP disclosed