SCHEMBL2906319

SCHEMBL2906319

O=C=Nc1cccc(Cc2cc(Cc3ccccc3N=C=O)ccc2N=C=O)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.40
TSHR P16473 1/20 0.40
TRPA1 O75762 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL7757579 0.94 CYP3A4 (0.41) CYP3A4TSHRTRPA1GABRA1GABRB2
SCHEMBL1396314 0.89 CYP3A4 (0.54) CYP3A4TSHRTRPA1GABRA1GABRB2
SCHEMBL28586403 0.85 CYP3A4 (0.46) CYP3A4TSHRTRPA1GABRA1GABRB2
SCHEMBL11345977 0.84 CYP3A4 (0.57) CYP3A4TSHRTRPA1GABRA1GABRB2
SCHEMBL11211323 0.82 CYP3A4 (0.43) CYP3A4TSHRTRPA1GABRA1GABRB2
SCHEMBL1396327 0.81 CYP3A4 (0.56) CYP3A4TSHRTRPA1GABRA1GABRB2
SCHEMBL27122 0.81 CYP3A4 (0.63) CYP3A4TSHRTRPA1GABRA1GABRB2
SCHEMBL17912718 0.81 CYP3A4 (0.63) CYP3A4TSHRTRPA1GABRA1GABRB2
SCHEMBL29368386 0.81 CYP3A4 (0.63) CYP3A4TSHRTRPA1GABRA1GABRB2
SCHEMBL28576503 0.80 CYP3A4 (0.50) CYP3A4TSHRTRPA1GABRA1GABRB2

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 21 patents — showing the first 20. 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
CN-1568337-A Reactive polyurethane compositions with a low residual monomer content HENKEL KGAA (DE) 2005-01-19 CN claimed
EP-1434811-A1 REACTIVE POLYURETHANE COMPOSITIONS WITH LOW RESIDUAL MONOMER CONTENT Henkel Kommanditgesellschaft auf Aktien (DE) 2004-07-07 EP claimed
WO-2003033562-A1 REACTIVE POLYURETHANE COMPOSITIONS WITH LOW RESIDUAL MONOMER CONTENT HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-24 WO claimed
EP-1237971-A1 ADHESION PROMOTERS FOR MONOMER-FREE REACTIVE POLYURETHANES Henkel Kommanditgesellschaft auf Aktien (DE) 2002-09-11 EP claimed
WO-2001040342-A1 ADHESION PROMOTERS FOR MONOMER-FREE REACTIVE POLYURETHANES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-06-07 WO claimed
US-9637667-B2 Reactive polyurethane compositions with a low residual monomer content HENKEL AG & CO. KGAA (DE) 2017-05-02 US disclosed
EP-1434811-B1 REACTIVE POLYURETHANE COMPOSITIONS WITH LOW RESIDUAL MONOMER CONTENT HENKEL AG & CO KGAA (DE) 2010-03-24 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
CN-1568337-A Reactive polyurethane compositions with a low residual monomer content HENKEL KGAA (DE) 2005-01-19 CN disclosed
EP-1434811-A1 REACTIVE POLYURETHANE COMPOSITIONS WITH LOW RESIDUAL MONOMER CONTENT Henkel Kommanditgesellschaft auf Aktien (DE) 2004-07-07 EP disclosed
EP-0777695-B2 POLYURETHANE COMPOSITIONS HAVING A LOW CONTENT OF MONOMER DIISOCYANATES HENKEL KGAA (DE) 2004-03-17 EP disclosed
WO-2003033562-A1 REACTIVE POLYURETHANE COMPOSITIONS WITH LOW RESIDUAL MONOMER CONTENT HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-24 WO 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