SCHEMBL4307571

SCHEMBL4307571

CN(Cc1ccccc1)c1ccc2cc(-c3cc[n+](CCO)cc3)c(=O)oc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.61
SLC16A1 P53985 1/20 0.61
ACHE P22303 12/20 0.52
BCHE P06276 3/20 0.48
NPC1 O15118 5/20 0.46
MIF P14174 1/20 0.46
RAB9A P51151 4/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
RECQL P46063 1/20 0.45
HSD17B10 Q99714 1/20 0.45
BACE1 P56817 1/20 0.45
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL4309500 0.91 SLC16A3 (0.59) SLC16A3SLC16A1ACHEBCHENPC1
SCHEMBL4306498 0.90 ACHE (0.48) SLC16A3SLC16A1ACHEBCHENPC1
SCHEMBL4306534 0.89 SLC16A3 (0.61) SLC16A3SLC16A1ACHEBCHENPC1
SCHEMBL4309274 0.87 SLC16A3 (0.55) SLC16A3SLC16A1ACHEBCHENPC1
SCHEMBL4302773 0.86 CYP19A1 (0.47) SLC16A3SLC16A1ACHEBCHENPC1
SCHEMBL4309660 0.85 SLC16A3 (0.49) SLC16A3SLC16A1ACHEBCHENPC1
SCHEMBL4305002 0.85 SLC16A3 (0.51) SLC16A3NPC1MIFRAB9AKDM4E
Bromide SCHEMBL4303645 0.84 SLC16A3 (0.50) SLC16A3NPC1MIFRAB9AKDM4E
SCHEMBL4300702 0.81 ACHE (0.50) SLC16A3SLC16A1ACHEBCHENPC1
SCHEMBL4302206 0.81 CYP19A1 (0.68) SLC16A3SLC16A1NPC1RAB9AKDM4E

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