SCHEMBL6866459

SCHEMBL6866459

Cc1cccc(-c2ccccc2N=C=O)c1N=C=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.53
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
TRPA1 O75762 1/20 0.40
POLB P06746 1/20 0.36
MAPT P10636 3/20 0.32
ALDH1A1 P00352 2/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 2/20 0.32
PAX8 Q06710 1/20 0.32
MYC P01106 1/20 0.32
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HSP90AA1 P07900 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL1133364 0.89 GABRA1 (0.50) CYP3A4GABRA1GABRB2TRPA1POLB
SCHEMBL11117660 0.87 GABRA1 (0.46) CYP3A4GABRA1GABRB2TRPA1POLB
SCHEMBL9183951 0.85 CYP3A4 (0.50) CYP3A4GABRA1GABRB2TRPA1ALDH1A1
SCHEMBL7585388 0.85 CYP3A4 (0.55) CYP3A4GABRA1GABRB2TRPA1MAPT
SCHEMBL20145 0.83 CYP3A4 (0.63) CYP3A4GABRA1GABRB2TRPA1POLB
SCHEMBL30520271 0.83 CYP3A4 (0.63) CYP3A4GABRA1GABRB2TRPA1POLB
SCHEMBL3213502 0.83 CYP3A4 (0.50) CYP3A4GABRA1GABRB2TRPA1MAPT
Methane SCHEMBL10941733 0.82 CYP3A4 (0.61) CYP3A4GABRA1GABRB2TRPA1POLB
SCHEMBL112824 0.81 CYP3A4 (0.56) CYP3A4GABRA1GABRB2TRPA1POLB
SCHEMBL11334927 0.80 CYP3A4 (0.70) CYP3A4GABRA1GABRB2TRPA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624387-B2 Aqueous acrylic coating system and method for improving the appearance of grained wood surfaces COVESTRO DEUTSCHLAND AG (DE) 2017-04-18 US disclosed
US-20140017449-A1 AQUEOUS ACRYLIC COATING SYSTEM AND METHOD FOR IMPROVING THE APPEARANCE OF GRAINED WOOD SERFACES COVESTRO DEUTSCHLAND AG (DE) 2014-01-16 US disclosed
EP-1164826-B1 USE OF A SEED TREATMENT COMPOSITION BAYER CROPSCIENCE GMBH (DE) 2004-10-13 EP disclosed
EP-1164826-A1 SEED TREATMENT COMPOSITION Aventis CropScience GmbH (DE) 2002-01-02 EP disclosed
WO-2000054568-A1 SEED TREATMENT COMPOSITION AVENTIS CROPSCIENCE GMBH (DE) 2000-09-21 WO disclosed
EP-1036492-A1 Seed treatment composition Aventis Research & Technologies GmbH & Co. KG (DE) 2000-09-20 EP disclosed
EP-0969056-A1 Method for preparing an improved protein coating and articles thereof Aventis Research & Technologies GmbH & Co KG (DE) 2000-01-05 EP disclosed
WO-1999061539-A1 METHOD FOR PREPARING A PROTEIN COATING AND ARTICLES THEREOF AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 1999-12-02 WO disclosed
WO-1999061538-A1 METHOD FOR PREPARING A PROTEIN COATING AND ARTICLES THEREOF AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 1999-12-02 WO disclosed
EP-0960922-A1 Method for preparing a protein coating and articles thereof Aventis Research & Technologies GmbH & Co KG (DE) 1999-12-01 EP disclosed
EP-0739387-A1 METHOD OF PRODUCING A NON-POLLUTING MATERIAL, THE MATERIAL OBTAINED BY THE METHOD AND USE OF THE MATERIAL Preform GmbH (DE) 1996-10-30 EP disclosed
WO-1995018185-A1 METHOD OF PRODUCING A NON-POLLUTING MATERIAL, THE MATERIAL OBTAINED BY THE METHOD AND USE OF THE MATERIAL PREFORM GMBH (DE) 1995-07-06 WO disclosed