SCHEMBL4301601

SCHEMBL4301601

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.56
ALK Q9UM73 1/20 0.49
MAPT P10636 6/20 0.42
KDM4E B2RXH2 4/20 0.42
MAPK1 P28482 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
NSD2 O96028 1/20 0.42
THRB P10828 1/20 0.42
CASP3 P42574 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
ATM Q13315 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ESR2 Q92731 1/20 0.41
MIF P14174 7/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 2/20 0.39

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 SCHEMBL4301403 0.99 SLC16A3 (0.55) SLC16A3ALKMAPTKDM4EMAPK1
Sulfuric Acid SCHEMBL4304339 0.94 SLC16A3 (0.50) SLC16A3ALKMAPTKDM4EMAPK1
SCHEMBL4301984 0.91 ALDH1A1 (0.44) SLC16A3ALKMAPTKDM4EMAPK1
SCHEMBL4305955 0.90 ALDH1A1 (0.43) SLC16A3ALKMAPTKDM4EMAPK1
SCHEMBL4302295 0.88 SLC16A3 (0.45) SLC16A3ALKMAPTKDM4EMAPK1
SCHEMBL4307545 0.86 SLC16A3 (0.50) SLC16A3ALKMAPTKDM4EMAPK1
Bromide SCHEMBL4305924 0.85 SLC16A3 (0.49) SLC16A3ALKMAPTKDM4EMAPK1
SCHEMBL4305774 0.85 SLC16A3 (0.52) SLC16A3ALKMAPTKDM4EMAPK1
SCHEMBL4311834 0.85 SLC16A3 (0.56) SLC16A3ALKMAPTKDM4EMAPK1
SCHEMBL4302297 0.85 ALK (0.42) SLC16A3ALKMAPTKDM4ENPSR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021058592-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-04-01 WO claimed
WO-2009124800-A1 CATIONIC DIRECT DYES AND AGENTS FOR DYEING FIBERS CONTAINING KERATIN HENKEL AG & CO. KGAA (DE) 2009-10-15 WO claimed
WO-2021058592-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-04-01 WO disclosed
WO-2021058592-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-04-01 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
WO-2009124800-A1 CATIONIC DIRECT DYES AND AGENTS FOR DYEING FIBERS CONTAINING KERATIN HENKEL AG & CO. KGAA (DE) 2009-10-15 WO disclosed