SCHEMBL21409802

SCHEMBL21409802

Nc1cc(N)c2cc(N)ccc2c1.Nc1ccc2c(N)cc(N)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.44
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 3/20 0.43
CYP3A4 P08684 2/20 0.43
CASP1 P29466 2/20 0.41
ALOX15 P16050 1/20 0.41
CASP7 P55210 1/20 0.41
HBB P68871 1/20 0.41
HIF1A Q16665 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
CTDSP1 Q9GZU7 1/20 0.39
TYMS P04818 1/20 0.38
CASP6 P55212 3/20 0.37
NSD2 O96028 1/20 0.37
DUSP3 P51452 1/20 0.37
PTPN5 P54829 1/20 0.37

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
SCHEMBL31722811 0.93 ALDH1A1 (0.48) PLAUALDH1A1HSD17B10CYP3A4CASP1
SCHEMBL7752886 0.93 ALDH1A1 (0.48) PLAUALDH1A1HSD17B10CYP3A4CASP1
SCHEMBL29463756 0.91 PLAU (0.45) PLAUALDH1A1HSD17B10CYP3A4CASP1
SCHEMBL678473 0.91 PLAU (0.45) PLAUALDH1A1HSD17B10CYP3A4CASP1
SCHEMBL29389942 0.91 PLAU (0.45) PLAUALDH1A1HSD17B10CYP3A4CASP1
SCHEMBL2445157 0.78 ALDH1A1 (0.57) PLAUALDH1A1HSD17B10CYP3A4CASP1
SCHEMBL24254785 0.77 HPRT1 (0.43) PLAUALDH1A1HSD17B10CYP3A4CASP1
SCHEMBL21499706 0.77 HPRT1 (0.43) PLAUALDH1A1HSD17B10CYP3A4CASP1
SCHEMBL14742694 0.77 ALDH1A1 (0.50) PLAUALDH1A1HSD17B10CYP3A4CASP1
SCHEMBL8121539 0.76 ALDH1A1 (0.55) PLAUALDH1A1HSD17B10CYP3A4CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019188475-A1 TRIAZINE-RING-CONTAINING POLYMER, RESIN COMPOSITION, CURED FILM, AND SOLID-STATE IMAGING ELEMENT 東レ株式会社 2019-10-03 WO disclosed