SCHEMBL2858280

SCHEMBL2858280

O=C=Nc1ccc(Cc2ccc(N=C=O)cc2Cc2ccc(N=C=O)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.68
TSHR P16473 1/20 0.68
CYP1A2 P05177 1/20 0.54
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TRPA1 O75762 1/20 0.42
P2RY6 Q15077 1/20 0.34
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
BCL2 P10415 1/20 0.31
BCL2L1 Q07817 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL11313261 0.91 CYP3A4 (0.61) CYP3A4TSHRCYP1A2MAPK1TDP1
SCHEMBL10919766 0.91 CYP3A4 (0.61) CYP3A4TSHRCYP1A2MAPK1TDP1
SCHEMBL16386504 0.91 CYP3A4 (0.71) CYP3A4TSHRCYP1A2MAPK1TDP1
SCHEMBL10962876 0.86 CYP3A4 (0.54) CYP3A4TSHRCYP1A2MAPK1TDP1
SCHEMBL108775 0.86 CYP3A4 (0.63) CYP3A4TSHRCYP1A2MAPK1TDP1
SCHEMBL374837 0.86 CYP3A4 (0.63) CYP3A4TSHRCYP1A2MAPK1TDP1
SCHEMBL9813322 0.84 CYP3A4 (0.61) CYP3A4TSHRCYP1A2MAPK1TDP1
SCHEMBL8322013 0.84 CYP3A4 (0.61) CYP3A4TSHRCYP1A2MAPK1TDP1
SCHEMBL1130659 0.84 CYP3A4 (0.56) CYP3A4TSHRCYP1A2MAPK1TDP1
SCHEMBL19943 0.82 CYP3A4 (1.00) CYP3A4TSHRCYP1A2MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637667-B2 Reactive polyurethane compositions with a low residual monomer content HENKEL AG & CO. KGAA (DE) 2017-05-02 US claimed
EP-1237971-B1 ADHESION PROMOTERS FOR MONOMER-FREE REACTIVE POLYURETHANES HENKEL AG & CO KGAA (DE) 2010-08-04 EP claimed
EP-1434811-B1 REACTIVE POLYURETHANE COMPOSITIONS WITH LOW RESIDUAL MONOMER CONTENT HENKEL AG & CO KGAA (DE) 2010-03-24 EP claimed
US-7129312-B1 Adhesion promoters for monomer-free reactive polyurethanes HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-10-31 US claimed
US-20050032973-A1 Reactive polyurethane compositions with a low residual monomer content HENKEL AG & CO. KGAA (DE) 2005-02-10 US claimed
US-9637667-B2 Reactive polyurethane compositions with a low residual monomer content HENKEL AG & CO. KGAA (DE) 2017-05-02 US disclosed
EP-1237971-B1 ADHESION PROMOTERS FOR MONOMER-FREE REACTIVE POLYURETHANES HENKEL AG & CO KGAA (DE) 2010-08-04 EP disclosed
EP-1434811-B1 REACTIVE POLYURETHANE COMPOSITIONS WITH LOW RESIDUAL MONOMER CONTENT HENKEL AG & CO KGAA (DE) 2010-03-24 EP disclosed
EP-1404733-B1 REACTIVE POLYURETHANES HAVING A REDUCED DIISOCYANATE MONOMERS CONTENT HENKEL AG & CO KGAA (DE) 2010-01-20 EP disclosed
US-7129312-B1 Adhesion promoters for monomer-free reactive polyurethanes HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-10-31 US disclosed
US-20050032973-A1 Reactive polyurethane compositions with a low residual monomer content HENKEL AG & CO. KGAA (DE) 2005-02-10 US disclosed
US-20040162385-A1 Reactive polyurethanes having reduced diisocyanate monomer content HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2004-08-19 US disclosed
EP-0777695-B2 POLYURETHANE COMPOSITIONS HAVING A LOW CONTENT OF MONOMER DIISOCYANATES HENKEL KGAA (DE) 2004-03-17 EP disclosed
US-5880167-A POLYMERS FOR HOT MELT ADHESIVES IN FOAMABLE PRESSURIZED CANS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-03-09 US disclosed
EP-0777695-B1 POLYURETHANE COMPOSITIONS HAVING A LOW CONTENT OF MONOMER DIISOCYANATES HENKEL KGAA (DE) 1998-12-02 EP disclosed