SCHEMBL4309274

SCHEMBL4309274

C=CC[n+]1ccc(-c2cc3ccc(N(C)Cc4ccccc4)cc3oc2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.55
SLC16A1 P53985 1/20 0.55
ACHE P22303 13/20 0.49
BCHE P06276 3/20 0.46
BACE1 P56817 1/20 0.43
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 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
SCHEMBL4300887 0.90 ACHE (0.46) SLC16A3SLC16A1ACHEBCHEBACE1
SCHEMBL4309500 0.88 SLC16A3 (0.59) SLC16A3SLC16A1ACHEBCHEBACE1
SCHEMBL4307571 0.87 SLC16A3 (0.61) SLC16A3SLC16A1ACHEBCHEBACE1
SCHEMBL4306534 0.86 SLC16A3 (0.61) SLC16A3SLC16A1ACHEBCHEBACE1
SCHEMBL4306467 0.86 CYP19A1 (0.47) SLC16A3ACHENPC1RAB9AKDM4E
SCHEMBL4299201 0.85 CYP19A1 (0.43) SLC16A3SLC16A1ACHEBCHENPC1
Bromide SCHEMBL4300809 0.85 CYP19A1 (0.46) SLC16A3ACHENPC1RAB9AKDM4E
SCHEMBL4301861 0.82 CYP19A1 (0.64) SLC16A3SLC16A1NPC1RAB9AKDM4E
Bromide SCHEMBL4300773 0.81 CYP19A1 (0.62) SLC16A3SLC16A1NPC1RAB9AKDM4E
Sulfuric Acid SCHEMBL4302942 0.80 SLC16A3 (0.42) SLC16A3ACHENPC1RAB9AKDM4E

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