SCHEMBL4299901

SCHEMBL4299901

CN(C)c1ccc2cc(-c3cc[n+](C)cc3)c(=O)oc2c1.Cc1ccc(O)cc1S(=O)(=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 10/20 0.47
ESR2 Q92731 2/20 0.45
NPC1 O15118 3/20 0.43
ATM Q13315 2/20 0.42
MEN1 O00255 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
ERAP1 Q9NZ08 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
SIRT3 Q9NTG7 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PTGS1 P23219 1/20 0.42
TLR9 Q9NR96 1/20 0.41

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
SCHEMBL4302030 0.90 CYP19A1 (0.51) MIFESR2NPC1ATMMEN1
SCHEMBL4299388 0.90 MIF (0.44) MIFESR2NPC1ATMMEN1
SCHEMBL4301921 0.87 MIF (0.42) MIFESR2NPC1ATMMEN1
SCHEMBL4304396 0.87 MIF (0.45) MIFESR2NPC1ATMMEN1
Sulfuric Acid SCHEMBL4313016 0.85 SLC16A3 (0.48) MIFESR2NPC1MEN1RAB9A
SCHEMBL4299898 0.83 MIF (0.46) MIFESR2MEN1KMT2APGR
SCHEMBL4307998 0.82 SLC16A3 (0.52) MIFESR2NPC1MEN1RAB9A
SCHEMBL4313032 0.82 CYP19A1 (0.49) MIFESR2NPC1ATMMEN1
SCHEMBL4301899 0.81 SLC16A3 (0.43) MIFESR2NPC1ATMMEN1
Bromide SCHEMBL4299197 0.81 SLC16A3 (0.51) MIFESR2NPC1MEN1RAB9A

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
WO-2009124800-A1 CATIONIC DIRECT DYES AND AGENTS FOR DYEING FIBERS CONTAINING KERATIN HENKEL AG & CO. KGAA (DE) 2009-10-15 WO disclosed