SCHEMBL2546296

SCHEMBL2546296

O=C=Nc1ccc2ccccc2c1N=C=O.O=c1[nH]c(=O)[nH]c(=O)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
PAX8 Q06710 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HSD17B10 Q99714 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP3A4 P08684 2/20 0.35
HPGD P15428 2/20 0.35
ABCB11 O95342 1/20 0.35
NR3C1 P04150 1/20 0.35
CYP1A2 P05177 1/20 0.35
ADRA2A P08913 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ALOX15 P16050 1/20 0.35
ADRA2C P18825 1/20 0.35
MAOA P21397 1/20 0.35
DRD1 P21728 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR2B P41595 1/20 0.35
CCR2 P41597 1/20 0.35

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
SCHEMBL38584 0.92 TDP1 (0.41) PAX8ALDH1A1HSD17B10TDP1CYP3A4
SCHEMBL29500990 0.92 TDP1 (0.41) PAX8ALDH1A1HSD17B10TDP1CYP3A4
SCHEMBL5095517 0.83 HPRT1 (0.48) PAX8ALDH1A1HSD17B10TDP1CYP3A4
SCHEMBL7159188 0.80 SENP2 (0.35) ALDH1A1HSD17B10TDP1CYP3A4HPGD
SCHEMBL11881605 0.78 CYP1A2 (0.31) ALDH1A1HSD17B10TDP1CYP3A4HPGD
SCHEMBL48435 0.77 ALDH1A1 (0.36) ALDH1A1HSD17B10TDP1CYP3A4HPGD
SCHEMBL29642615 0.75 ALDH1A1 (0.42) PAX8ALDH1A1HSD17B10TDP1CYP3A4
SCHEMBL17787466 0.75 ALDH1A1 (0.42) PAX8ALDH1A1HSD17B10TDP1CYP3A4
SCHEMBL28080025 0.74 SENP2 (0.44) PAX8ALDH1A1HSD17B10TDP1CYP3A4
SCHEMBL6395774 0.73 ERN1 (0.51) ALDH1A1HSD17B10TDP1CYP3A4HPGD

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-9676895-B2 Water dispersible epoxy urethane compounds and coating compositions NDSU RESEARCH FOUNDATION (US) 2017-06-13 US disclosed
US-20110263753-A1 WATER DISPERSIBLE EPOXY URETHANE COMPOUNDS AND COATING COMPOSITIONS THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY 2011-10-27 US disclosed