SCHEMBL2820178

SCHEMBL2820178

C=CCNc1ccc(N)cc1.c1ncncn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
RAD52 P43351 1/20 0.38
RRM2 P31350 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
APP P05067 1/20 0.38
CA14 Q9ULX7 1/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
CCNA2 P20248 1/20 0.34

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
SCHEMBL461866 1.00 CA12 (0.51) CA12CA1CA2CA9RAD52
Hydrochloric Acid SCHEMBL10483019 0.98 CA12 (0.50) CA12CA1CA2CA9RAD52
SCHEMBL476573 0.90 CA12 (0.60) CA12CA1CA2CA9RAD52
Tromethamine SCHEMBL461865 0.88 CA12 (0.42) CA12CA1CA2CA9RAD52
SCHEMBL4921793 0.85 CA12 (0.55) CA12CA1CA2CA9RAD52
SCHEMBL5958592 0.81 ALDH1A1 (0.52) CA12CA1CA2CA9RRM2
SCHEMBL99646 0.79 CA12 (0.65) CA12CA1CA2CA9RRM2
Tromethamine SCHEMBL2355478 0.77 CA12 (0.47) CA12CA1CA2CA9RRM2
SCHEMBL14672034 0.74 APP (0.45) CA12CA1CA2CA9MAOA
SCHEMBL1581280 0.74 CA12 (0.41) CA12CA1CA2CA9RRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009036790-A1 PRIMER COMPOSITIONS FOR ADHESIVE BONDING SYSTEMS AND COATINGS HENKEL AG & CO. KGAA (DE) 2009-03-26 WO claimed
EP-1902106-A1 PRIMER COMPOSITIONS FOR ADHESIVE BONDING SYSTEMS Henkel Corporation (US) 2008-03-26 EP claimed
WO-2007008199-A1 PRIMER COMPOSITIONS FOR ADHESIVE BONDING SYSTEMS HENKEL CORPORATION (US) 2007-01-18 WO claimed
WO-2003078537-A2 CURE ACCELERATORS FOR ANAEROBIC ADHESIVE COMPOSITIONS HENKEL CORPORATION (US) 2003-09-25 WO claimed
EP-2257595-A2 WATER-BASED RESIN COMPOSITION AND ARTICLES MADE THEREFROM Allegiance Corporation (US) 2010-12-08 EP disclosed
WO-2009114788-A2 WATER-BASED RESIN COMPOSITION AND ARTICLES MADE THEREFROM ALLEGIANCE CORPORATION (US) 2009-09-17 WO disclosed
WO-2009036790-A1 PRIMER COMPOSITIONS FOR ADHESIVE BONDING SYSTEMS AND COATINGS HENKEL AG & CO. KGAA (DE) 2009-03-26 WO disclosed
EP-1902106-A1 PRIMER COMPOSITIONS FOR ADHESIVE BONDING SYSTEMS Henkel Corporation (US) 2008-03-26 EP disclosed
WO-2007008199-A1 PRIMER COMPOSITIONS FOR ADHESIVE BONDING SYSTEMS HENKEL CORPORATION (US) 2007-01-18 WO disclosed
WO-1991005773-A1 N-ALKYL-P-QUINONEDIIMINO TRIAZINE COMPOUNDS UNIROYAL CHEMICAL COMPANY, INC. (US) 1991-05-02 WO disclosed