SCHEMBL3669277

SCHEMBL3669277

O=C=Nc1ccc2cccc(N=C=O)c2c1N=C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.50
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
ALDH1A1 P00352 5/20 0.39
HPGD P15428 4/20 0.39
CYP1A2 P05177 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CYP1A1 P04798 2/20 0.39
CYP1B1 Q16678 2/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 2/20 0.34
ABCB11 O95342 1/20 0.33
NR3C1 P04150 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ALOX15 P16050 1/20 0.33
ADRA2C P18825 1/20 0.33
MAOA P21397 1/20 0.33
DRD1 P21728 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL224067 0.85 CYP3A4 (0.60) CYP3A4GABRA1GABRB2ALDH1A1HPGD
SCHEMBL109280 0.83 CYP3A4 (0.62) CYP3A4GABRA1GABRB2ALDH1A1HPGD
SCHEMBL29500990 0.78 TDP1 (0.41) CYP3A4GABRA1GABRB2ALDH1A1HPGD
SCHEMBL38584 0.78 TDP1 (0.41) CYP3A4GABRA1GABRB2ALDH1A1HPGD
SCHEMBL5577120 0.78 CYP3A4 (0.48) CYP3A4GABRA1GABRB2ALDH1A1HPGD
SCHEMBL28570936 0.77 CYP3A4 (0.56) CYP3A4GABRA1GABRB2ALDH1A1HPGD
SCHEMBL3714083 0.76 ALDH1A1 (0.45) CYP3A4GABRA1GABRB2ALDH1A1HPGD
SCHEMBL17007517 0.75 CYP3A4 (0.54) CYP3A4GABRA1GABRB2ALDH1A1HPGD
SCHEMBL9251624 0.75 CYP3A4 (0.54) CYP3A4GABRA1GABRB2ALDH1A1HPGD
SCHEMBL5456903 0.75 CYP3A4 (0.54) CYP3A4GABRA1GABRB2ALDH1A1HPGD

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
EP-2819855-A1 BALLISTIC RESILIENT RUN-FLAT TIRE, KIT AND METHOD THEREOF Arnco, Inc. (US) 2015-01-07 EP claimed
WO-2013130113-A1 BALLISTIC RESILIENT RUN-FLAT TIRE, KIT AND METHOD THEREOF ARNCO (US) 2013-09-06 WO claimed
EP-2819855-A1 BALLISTIC RESILIENT RUN-FLAT TIRE, KIT AND METHOD THEREOF Arnco, Inc. (US) 2015-01-07 EP disclosed
WO-2013130113-A1 BALLISTIC RESILIENT RUN-FLAT TIRE, KIT AND METHOD THEREOF ARNCO (US) 2013-09-06 WO disclosed
EP-2190902-A1 SILICONE POLYURETHANE BLENDS Alzo International, Inc. (US) 2010-06-02 EP disclosed
WO-2009035676-A1 SILICONE POLYURETHANE BLENDS ALZO INTERNATIONAL, INC. (US) 2009-03-19 WO disclosed
EP-1006984-A4 MONOHYDRIC ALCOHOL DERIVED URETHANES AND THEIR USE IN COSMETIC FORMULATIONS ALZO INC (US) 2002-01-16 EP disclosed
EP-1006984-A1 MONOHYDRIC ALCOHOL DERIVED URETHANES AND THEIR USE IN COSMETIC FORMULATIONS Alzo, Inc. (US) 2000-06-14 EP disclosed
WO-1998032415-A1 MONOHYDRIC ALCOHOL DERIVED URETHANES AND THEIR USE IN COSMETIC FORMULATIONS ALZO, INC. (US) 1998-07-30 WO disclosed
WO-1997016466-A1 POLYURETHANE (METH)ACRYLATES AND PROCESSES FOR PREPARING SAME UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1997-05-09 WO disclosed