SCHEMBL4303899

SCHEMBL4303899

C=CC[n+]1ccc(-c2cc3ccc(N4CCOCC4)cc3oc2=O)cc1.Cc1ccc(O)cc1S(=O)(=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.40
ALK Q9UM73 1/20 0.39
MIF P14174 9/20 0.38
ATM Q13315 2/20 0.37
ESR2 Q92731 1/20 0.37
NPC1 O15118 4/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
RAB9A P51151 3/20 0.35
ERAP1 Q9NZ08 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
GLA P06280 3/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL4302297 0.91 ALK (0.42) SLC16A3ALKMIFATMESR2
SCHEMBL4301899 0.89 SLC16A3 (0.43) SLC16A3ALKMIFATMESR2
SCHEMBL4301412 0.88 MIF (0.41) SLC16A3ALKMIFATMESR2
Sulfuric Acid SCHEMBL4302928 0.88 SLC16A3 (0.47) SLC16A3ALKMIFATMESR2
SCHEMBL4303896 0.86 SLC16A3 (0.41) SLC16A3ALKMIFNPC1MEN1
SCHEMBL4307545 0.85 SLC16A3 (0.50) SLC16A3ALKMIFESR2NPC1
Bromide SCHEMBL4305924 0.84 SLC16A3 (0.49) SLC16A3ALKMIFESR2NPC1
SCHEMBL4301921 0.83 MIF (0.42) SLC16A3MIFATMESR2NPC1
SCHEMBL4302369 0.82 CYP19A1 (0.46) SLC16A3MIFATMESR2NPC1
SCHEMBL4303945 0.78 ALDH1A1 (0.40) SLC16A3ALKMIFESR2NPC1

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