SCHEMBL18201522

SCHEMBL18201522

c1ccc(Nc2ccc3c(ccc4cc(-c5ccccc5)ccc43)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
HSD17B10 Q99714 3/20 0.58
CYP3A4 P08684 3/20 0.58
HPGD P15428 1/20 0.58
MAPK10 P53779 1/20 0.47
MAPK14 Q16539 1/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
AR P10275 1/20 0.47
NSD2 O96028 1/20 0.47
DUSP3 P51452 1/20 0.47
PTPN5 P54829 1/20 0.47
CASP7 P55210 1/20 0.47
CASP6 P55212 1/20 0.47
PTPN11 Q06124 1/20 0.47
TSHR P16473 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46

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
SCHEMBL1900851 0.91 ALDH1A1 (0.70) ALDH1A1HSD17B10CYP3A4HPGDMAPK10
SCHEMBL23660007 0.90 ALDH1A1 (0.51) ALDH1A1HSD17B10CYP3A4HPGDMAPK10
SCHEMBL25568868 0.89 ALDH1A1 (0.53) ALDH1A1HSD17B10CYP3A4HPGDMAPK10
SCHEMBL17701124 0.89 ALDH1A1 (0.58) ALDH1A1HSD17B10CYP3A4HPGDMAPK10
SCHEMBL19849888 0.89 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP3A4HPGDMAPK10
SCHEMBL30800493 0.89 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP3A4HPGDMAPK10
SCHEMBL24152218 0.89 ALDH1A1 (0.68) ALDH1A1HSD17B10CYP3A4HPGDMAPK10
SCHEMBL16852593 0.89 ALDH1A1 (0.67) ALDH1A1HSD17B10CYP3A4HPGDMEN1
SCHEMBL4599298 0.89 ALDH1A1 (0.72) ALDH1A1HSD17B10CYP3A4HPGDMAPK10
SCHEMBL24055881 0.88 HPRT1 (0.48) ALDH1A1HSD17B10CYP3A4HPGDMAPK10

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-2016175533-A2 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2016-11-03 WO disclosed