SCHEMBL4935799

SCHEMBL4935799

C=C(C)c1cccc2c(N=C=O)cccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.47
EDNRA P25101 1/20 0.35
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ABCB11 O95342 1/20 0.33
NR3C1 P04150 1/20 0.33
CYP1A2 P05177 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
HTR2B P41595 1/20 0.33
CCR2 P41597 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL9051530 0.82 CYP3A4 (0.48) CYP3A4GABRA1GABRB2ALDH1A1HPGD
SCHEMBL9585916 0.81 CYP3A4 (0.48) CYP3A4GABRA1GABRB2ALDH1A1HPGD
SCHEMBL22210 0.80 CYP3A4 (0.62) CYP3A4GABRA1GABRB2ALDH1A1HPGD
SCHEMBL29370250 0.80 CYP3A4 (0.62) CYP3A4GABRA1GABRB2ALDH1A1HPGD
SCHEMBL30226722 0.78 EDNRA (0.42) EDNRAALDH1A1HPGDCYP1A2PTK2B
SCHEMBL6903580 0.78 EDNRA (0.42) EDNRAALDH1A1HPGDCYP1A2PTK2B
SCHEMBL9188597 0.78 CYP3A4 (0.44) CYP3A4GABRA1GABRB2TRPA1
SCHEMBL28588773 0.77 CYP3A4 (0.55) CYP3A4GABRA1GABRB2ALDH1A1HPGD
SCHEMBL14503150 0.74 CYP3A4 (0.52) CYP3A4GABRA1GABRB2ALDH1A1HPGD
SCHEMBL28831497 0.74 CYP3A4 (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064850-A1 Thermosetting Powder Coating and Process for Producing the Same NIPPON PAINT CO., LTD. (JP) 2008-03-13 US disclosed
WO-2005118664-A1 THERMOSETTING POWDER COATING AND PROCESS FOR PRODUCING THE SAME NIPPON PAINT CO., LTD. (JP) 2005-12-15 WO disclosed