SCHEMBL108909

SCHEMBL108909

CN(C)c1ccc2nc3c(ccc4ccccc43)[o+]c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.48
TERT O14746 1/20 0.40
APP P05067 1/20 0.40
MAOA P21397 1/20 0.40
SLC2A1 P11166 2/20 0.38
PSMB5 P28074 2/20 0.36
KDM1A O60341 5/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
Hydrochloric Acid SCHEMBL455676 0.99 ALOX5 (0.47) ALOX5TERTAPPMAOASLC2A1
Hydrochloric Acid SCHEMBL917550 0.97 ALOX5 (0.46) ALOX5TERTAPPMAOASLC2A1
SCHEMBL30014307 0.85 TERT (0.44) ALOX5TERTMAOASLC2A1KDM1A
SCHEMBL1502498 0.77 NPC1 (0.40) MAOASLC2A1L3MBTL1KDM4EALDH1A1
Methylamine SCHEMBL4656918 0.76 MAOA (0.39) ALOX5MAOASLC2A1L3MBTL1KDM4E
SCHEMBL10865905 0.74 KDM4E (0.42) KDM1AKDM4EALDH1A1LMNACYP1A2
Hydrochloric Acid SCHEMBL10845581 0.73 KDM4E (0.41) KDM4EALDH1A1LMNACYP1A2CYP3A4
SCHEMBL23183323 0.69 ALDH1A1 (0.56) ALOX5TERTAPPL3MBTL1KDM4E
SCHEMBL13154621 0.69 TERT (0.40) TERTSLC2A1KDM1AL3MBTL1KDM4E
SCHEMBL22538140 0.68 ALDH1A1 (0.54) ALOX5TERTAPPMAOAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767809-B1 CURE-INDICATING MOLDING AND COATING COMPOSITION MINNESOTA MINING & MFG (US) 2004-01-21 EP claimed
EP-2424491-B1 FILM FORMER IN HAIR COLOURS HENKEL AG & CO KGAA (DE) 2017-05-24 EP disclosed
EP-2424491-A2 FILM FORMER IN HAIR DYES Henkel AG & Co. KGaA (DE) 2012-03-07 EP disclosed
WO-2010124897-A2 FILM FORMER IN HAIR DYES HENKEL AG & CO. KGAA (DE) 2010-11-04 WO disclosed
EP-1271143-B1 Test strip having a porous filter layer ARKRAY INC (JP) 2009-05-06 EP disclosed
EP-1820487-A1 Dye-containing pellets and their use Wella Aktiengesellschaft (DE) 2007-08-22 EP disclosed
US-7201871-B2 Specimen having capability of separating solid component ARKRAY INC. (JP) 2007-04-10 US disclosed
US-20030044316-A1 Specimen having capability of separating solid component ARKRAY INC. (JP) 2003-03-06 US disclosed
EP-1271143-A1 SPECIMEN HAVING CAPABILITY OF SEPARATING SOLID COMPONENT ARKRAY, Inc. (JP) 2003-01-02 EP disclosed
EP-0889719-A1 AGENTS FOR DYING AND DECOLORIZING FIBERS Wella Aktiengesellschaft (DE) 1999-01-13 EP disclosed
EP-0877593-A1 AGENT FOR DYEING AND DECOLORIZING FIBERS Wella Aktiengesellschaft (DE) 1998-11-18 EP disclosed
WO-1998023247-A1 AGENT FOR DYEING AND DECOLORIZING FIBERS WELLA AKTIENGESELLSCHAFT (DE) 1998-06-04 WO disclosed
WO-1998022078-A1 AGENTS FOR DYING AND DECOLORIZING FIBERS WELLA AKTIENGESELLSCHAFT (DE) 1998-05-28 WO disclosed