SCHEMBL4309353

SCHEMBL4309353

O=c1oc2cc(N3CCCC3)ccc2cc1-c1cc[n+](Cc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHKA P35790 12/20 0.52
ACHE P22303 3/20 0.44
BCHE P06276 2/20 0.44
NPC1 O15118 2/20 0.44
MIF P14174 1/20 0.44
ALDH1A1 P00352 2/20 0.43
USP2 O75604 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAOB P27338 1/20 0.42
SLC16A3 O15427 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
SCHEMBL4306424 0.99 CHKA (0.51) CHKAACHEBCHENPC1MIF
SCHEMBL4305774 0.92 SLC16A3 (0.52) CHKAACHENPC1MIFALDH1A1
Bromide SCHEMBL4303924 0.91 SLC16A3 (0.51) CHKAACHEBCHENPC1MIF
Sulfuric Acid SCHEMBL4301560 0.86 SLC16A3 (0.48) CHKANPC1MIFALDH1A1USP2
SCHEMBL4301984 0.85 ALDH1A1 (0.44) NPC1MIFALDH1A1USP2MAPT
SCHEMBL4305955 0.84 ALDH1A1 (0.43) NPC1MIFALDH1A1USP2MAPT
SCHEMBL4303945 0.82 ALDH1A1 (0.40) NPC1MIFALDH1A1USP2MAPT
SCHEMBL4301409 0.82 SLC16A3 (0.42) CHKAMIFALDH1A1USP2MAPT
SCHEMBL4313080 0.81 ALDH1A1 (0.39) NPC1MIFALDH1A1USP2MAPT
SCHEMBL4301890 0.81 ALDH1A1 (0.44) ACHENPC1MIFALDH1A1USP2

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