SCHEMBL4305002

SCHEMBL4305002

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.51
CYP19A1 P11511 2/20 0.50
PGR P06401 3/20 0.49
ESR2 Q92731 1/20 0.46
MIF P14174 7/20 0.45
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
GLA P06280 2/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RXFP1 Q9HBX9 1/20 0.43
SIRT3 Q9NTG7 1/20 0.43
ERAP1 Q9NZ08 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
Bromide SCHEMBL4303645 0.99 SLC16A3 (0.50) SLC16A3CYP19A1PGRESR2MIF
Sulfuric Acid SCHEMBL4306472 0.93 SLC16A3 (0.46) SLC16A3CYP19A1PGRESR2MIF
SCHEMBL4302773 0.90 CYP19A1 (0.47) SLC16A3CYP19A1PGRESR2MIF
SCHEMBL4302206 0.88 CYP19A1 (0.68) SLC16A3CYP19A1NPC1RAB9AKDM4E
SCHEMBL4299387 0.88 MIF (0.46) SLC16A3CYP19A1PGRESR2MIF
Bromide SCHEMBL4313103 0.87 CYP19A1 (0.67) SLC16A3CYP19A1NPC1RAB9AKDM4E
SCHEMBL4309491 0.87 CYP19A1 (0.52) SLC16A3CYP19A1ESR2MIFNPC1
SCHEMBL4307571 0.85 SLC16A3 (0.61) SLC16A3CYP19A1MIFNPC1RAB9A
SCHEMBL4306467 0.85 CYP19A1 (0.47) SLC16A3CYP19A1PGRESR2MIF
SCHEMBL4307998 0.85 SLC16A3 (0.52) SLC16A3CYP19A1PGRESR2MIF

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