SCHEMBL4305774

SCHEMBL4305774

O=c1oc2cc(N3CCOCC3)ccc2cc1-c1cc[n+](Cc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.52
CHKA P35790 3/20 0.44
ALK Q9UM73 1/20 0.44
NPC1 O15118 2/20 0.42
MIF P14174 1/20 0.42
KIF11 P52732 3/20 0.41
ASAH1 Q13510 1/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAOB P27338 1/20 0.41
PRKDC P78527 1/20 0.41
ACHE P22303 2/20 0.40
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38

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
Bromide SCHEMBL4303924 0.99 SLC16A3 (0.51) SLC16A3CHKAALKNPC1MIF
Sulfuric Acid SCHEMBL4301560 0.94 SLC16A3 (0.48) SLC16A3CHKAALKNPC1MIF
SCHEMBL4309353 0.92 CHKA (0.52) SLC16A3CHKANPC1MIFRAB9A
SCHEMBL4306424 0.91 CHKA (0.51) SLC16A3CHKANPC1MIFRAB9A
SCHEMBL4301409 0.89 SLC16A3 (0.42) SLC16A3CHKAALKMIFRAB9A
SCHEMBL4301601 0.85 SLC16A3 (0.56) SLC16A3ALKNPC1MIFRAB9A
SCHEMBL4301412 0.85 MIF (0.41) SLC16A3ALKNPC1MIFKIF11
Bromide SCHEMBL4301403 0.85 SLC16A3 (0.55) SLC16A3ALKNPC1MIFRAB9A
SCHEMBL4307545 0.83 SLC16A3 (0.50) SLC16A3ALKNPC1MIFRAB9A
Bromide SCHEMBL4305924 0.82 SLC16A3 (0.49) SLC16A3ALKNPC1MIFRAB9A

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