SCHEMBL4309491

SCHEMBL4309491

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.52
ESR2 Q92731 1/20 0.45
MIF P14174 6/20 0.44
MEN1 O00255 5/20 0.44
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 5/20 0.44
KDM4E B2RXH2 4/20 0.44
HPGD P15428 4/20 0.44
RAB9A P51151 3/20 0.44
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 6/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
USP2 O75604 2/20 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
SCHEMBL4302206 0.89 CYP19A1 (0.68) CYP19A1MEN1ALDH1A1KMT2AKDM4E
Bromide SCHEMBL4313103 0.88 CYP19A1 (0.67) CYP19A1MEN1ALDH1A1KMT2AKDM4E
SCHEMBL4302773 0.88 CYP19A1 (0.47) CYP19A1ESR2MIFMEN1ALDH1A1
SCHEMBL4311283 0.88 CYP19A1 (0.55) CYP19A1ESR2MIFMEN1ALDH1A1
SCHEMBL4309419 0.88 CYP19A1 (0.47) CYP19A1ESR2MIFMEN1ALDH1A1
SCHEMBL4304320 0.87 NPC1 (0.46) CYP19A1ESR2MIFMEN1ALDH1A1
SCHEMBL4305002 0.87 SLC16A3 (0.51) CYP19A1ESR2MIFMEN1ALDH1A1
Bromide SCHEMBL4303645 0.86 SLC16A3 (0.50) CYP19A1ESR2MIFMEN1ALDH1A1
SCHEMBL4306498 0.85 ACHE (0.48) CYP19A1MIFMEN1ALDH1A1KMT2A
Sulfuric Acid SCHEMBL4302159 0.84 CYP19A1 (0.60) CYP19A1MEN1ALDH1A1KMT2AKDM4E

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