SCHEMBL4967461

SCHEMBL4967461

Nc1cccc(-n2c(=O)n(-c3cccc(N)c3)c(=O)n(-c3cccc(N)c3)c2=O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
MAPT P10636 3/20 0.61
CASP1 P29466 2/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
KDM4E B2RXH2 1/20 0.61
ALOX15 P16050 1/20 0.61
CASP7 P55210 1/20 0.61
DDB1 Q16531 1/20 0.49
CRBN Q96SW2 1/20 0.49
CYP3A4 P08684 1/20 0.48
RECQL P46063 1/20 0.48
ADRA2C P18825 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
USP2 O75604 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
MAOA P21397 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 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
SCHEMBL9330591 0.81 MAPT (0.55) ALDH1A1MAPTCASP1MEN1KMT2A
SCHEMBL9275063 0.81 KDM4E (0.55) ALDH1A1MAPTCASP1MEN1KMT2A
SCHEMBL13779281 0.76 ALDH1A1 (1.00) ALDH1A1MAPTCASP1MEN1KMT2A
SCHEMBL9623886 0.74 ALDH1A1 (0.71) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL24452764 0.74 MGLL (0.72) ALDH1A1MAPTCASP1MEN1KMT2A
SCHEMBL16004434 0.73 HSP90AA1 (0.59) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL17537374 0.73 FAAH (0.59) ALDH1A1MAPTMEN1KMT2AKEAP1
SCHEMBL29829630 0.72 KDM4E (0.59) ALDH1A1MAPTCASP1MEN1KMT2A
SCHEMBL29789020 0.72 KDM4E (0.59) ALDH1A1MAPTCASP1MEN1KMT2A
SCHEMBL6536863 0.72 ALDH1A1 (0.55) ALDH1A1MAPTCASP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470451-B2 Binding agent component for surface coating agents with improved adhesive properties HENKEL AG & CO. KGAA (DE) 2008-12-30 US disclosed
US-20060247407-A1 Polymers with urea groups and silyl groups and production and use thereof HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) 2006-11-02 US disclosed
US-7057001-B2 Polymers with urea groups and silyl groups and production and use thereof HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-06-06 US disclosed
US-20050260401-A1 Polymers with urea groups and silyl groups and production and use thereof HENKEL AG & CO. KGAA (DE) 2005-11-24 US disclosed
US-20050129955-A1 Binding agent component for surface coating agents with improved adhesive properties HENKEL AG & CO. KGAA (DE) 2005-06-16 US disclosed