SCHEMBL5573537

SCHEMBL5573537

O=C=Nc1ccc(N=C=O)cc1.O=C=Nc1cccc2c(N=C=O)cccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.54
TSHR P16473 1/20 0.48
TRPA1 O75762 1/20 0.47
TDP1 Q9NUW8 3/20 0.41
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 2/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ABCB11 O95342 1/20 0.39
NR3C1 P04150 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADRA2C P18825 1/20 0.39
MAOA P21397 1/20 0.39
DRD1 P21728 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR2B P41595 1/20 0.39
CCR2 P41597 1/20 0.39

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
SCHEMBL22210 0.91 CYP3A4 (0.62) CYP3A4TSHRTRPA1TDP1MAPK1
SCHEMBL29370250 0.91 CYP3A4 (0.62) CYP3A4TSHRTRPA1TDP1MAPK1
SCHEMBL11362144 0.89 CYP3A4 (0.69) CYP3A4TSHRTRPA1TDP1MAPK1
SCHEMBL8491592 0.89 CYP3A4 (0.44) CYP3A4TSHRTRPA1TDP1MAPK1
Methane SCHEMBL9485401 0.85 CYP3A4 (0.41) CYP3A4TSHRTRPA1TDP1MAPK1
SCHEMBL28831497 0.84 CYP3A4 (0.56) CYP3A4TSHRTRPA1TDP1CYP1A2
SCHEMBL7177301 0.83 MEN1 (0.47) CYP3A4TSHRTRPA1TDP1MAPK1
Toluene Diisocyanate SCHEMBL8646723 0.82 CYP3A4 (0.77) CYP3A4TSHRTRPA1TDP1MAPK1
SCHEMBL9231657 0.82 CYP3A4 (0.45) CYP3A4TSHRTRPA1TDP1MAPK1
SCHEMBL27066 0.81 CYP3A4 (0.50) CYP3A4TSHRTRPA1TDP1MAPK1

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-7208546-B2 Nanocomposite ethylene copolymer compositions for golf balls ACUSHNET COMPANY (US) 2007-04-24 US disclosed
US-20050228140-A1 Nanocomposite ethylene copolymer compositions for golf balls ACUSHNET COMPANY 2005-10-13 US disclosed