SCHEMBL8647809

SCHEMBL8647809

CC(C)(C)NS(=O)(=O)c1ccc(-c2cc3cccccc-3c2-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 1/20 0.54
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
PTGS2 P35354 1/20 0.44
ALDH1A1 P00352 4/20 0.43
PRF1 P14222 1/20 0.43
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
CYP2C9 P11712 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL27802067 0.82 ALDH1A1 (0.56) PARGMAPTSMN1; SMN2LMNAKDM4E
SCHEMBL8652124 0.80 PARG (0.47) PARGMAPTLMNAMEN1HPGD
SCHEMBL8615189 0.79 PTGS2 (0.71) PTGS2
SCHEMBL28820849 0.77 PARG (0.55) PARGMAPTSMN1; SMN2LMNAKDM4E
SCHEMBL8648041 0.76 CA2 (0.61) PTGS2CA12CA2CA9L3MBTL1
SCHEMBL8652111 0.76 MAPT (0.50) PARGMAPTSMN1; SMN2LMNAMEN1
SCHEMBL349527 0.75 MAPT (0.66) PARGMAPTSMN1; SMN2LMNAKDM4E
SCHEMBL8645625 0.74 PTGS2 (0.63) PTGS2
SCHEMBL1968159 0.74 ALOX5AP (0.59) PARGALOX5APFEN1
SCHEMBL8650160 0.73 PTGS2 (0.69) PTGS2

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-5843999-A 2-phenylazulene derivatives and a manufacturing method of these compounds KOTOBUKI SEIYAKU CO., LTD. (JP) 1998-12-01 US disclosed