SCHEMBL4298669

SCHEMBL4298669

CCN(CC)c1ccc2cc(-c3cc[n+](C)cc3)c(=O)oc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.73
MAPT P10636 14/20 0.58
MEN1 O00255 9/20 0.58
KMT2A Q03164 9/20 0.58
KDM4E B2RXH2 7/20 0.58
ALDH1A1 P00352 7/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
HTT P42858 5/20 0.58
NPC1 O15118 4/20 0.58
LMNA P02545 4/20 0.58
USP2 O75604 4/20 0.58
RAB9A P51151 3/20 0.58
HPGD P15428 4/20 0.57
NR1H4 Q96RI1 1/20 0.56
NPSR1 Q6W5P4 3/20 0.56
ATM Q13315 5/20 0.55
HSD17B10 Q99714 2/20 0.55
MAOB P27338 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55

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 SCHEMBL4301866 0.99 CYP19A1 (0.71) CYP19A1MAPTMEN1KMT2AKDM4E
Sulfuric Acid SCHEMBL4298727 0.92 CYP19A1 (0.62) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL1260288 0.90 CYP19A1 (0.60) CYP19A1MAPTMEN1KMT2AKDM4E
P-Cresol SCHEMBL4307957 0.90 CYP19A1 (0.60) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL13869250 0.90 CYP19A1 (0.86) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL13869303 0.88 CYP19A1 (0.83) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL4311283 0.88 CYP19A1 (0.55) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL4302028 0.88 MEN1 (0.59) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL13870275 0.87 CYP19A1 (0.81) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL13870251 0.87 CYP19A1 (0.81) CYP19A1MAPTMEN1KMT2AKDM4E

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 7 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
US-12031178-B2 Cyclooctatetraene containing dyes and compositions ILLUMINA CAMBRIDGE LIMITED (GB) 2024-07-09 US disclosed
US-20230265502-A1 CYCLOOCTATETRAENE CONTAINING DYES AND COMPOSITIONS ILLUMINA CAMBRIDGE LIMITED (GB) 2023-08-24 US disclosed
US-20230265503-A1 CYCLOOCTATETRAENE CONTAINING DYES AND COMPOSITIONS ILLUMINA CAMBRIDGE LIMITED (GB) 2023-08-24 US disclosed
WO-2011089571-A2 A COSMETIC COMPOSITION INCLUDING AT LEAST ONE FLUOROPHORE COMPOUND L'OREAL (FR) 2011-07-28 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