SCHEMBL9011152

SCHEMBL9011152

CCC([n+]1c(C)ccc2ccccc21)S(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
GAA P10253 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
CYP2D6 P10635 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
USP2 O75604 1/20 0.30
APOBEC3A P31941 1/20 0.30
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30

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
SCHEMBL5546357 0.83 ATM (0.41) KDM4EGAAALDH1A1HPGDCYP2D6
SCHEMBL8497616 0.82 KDM4E (0.33) KDM4EGAAALDH1A1HPGDMEN1
SCHEMBL9011089 0.76 MEN1 (0.42) KDM4EGAAALDH1A1HPGDMEN1
SCHEMBL9010950 0.69 NPC1 (0.33) CYP2D6HSD17B10KMT2A
SCHEMBL5134000 0.69
SCHEMBL9010948 0.68 MEN1 (0.40) KDM4EGAAALDH1A1HPGDMEN1
SCHEMBL14740356 0.66 KDM4E (0.39) KDM4EGAAALDH1A1HPGDMEN1
SCHEMBL4158039 0.64 KDM4E (0.68) KDM4EGAAALDH1A1HPGDCYP2D6
SCHEMBL1049882 0.63 KDM4E (0.53) KDM4EGAAALDH1A1HPGDMEN1
SCHEMBL9843383 0.63 KDM4E (0.39) KDM4EGAAALDH1A1HPGDMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0649918-B1 Alkaline zinc-nickel alloy plating baths ROHCO INC MCGEAN (US) 1996-11-20 EP disclosed
US-5417840-A Quaternary ammonium compound containing nitrogen heterocycle, brightness MCGEAN-ROHCO, INC. (US) 1995-05-23 US disclosed
EP-0649918-A1 Alkaline zinc-nickel alloy plating baths MCGEAN-ROHCO, INC. (US) 1995-04-26 EP disclosed