SCHEMBL16716786

SCHEMBL16716786

c1ccc(Nc2cccc(-c3cccc(-c4ccccc4)c3)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
MEN1 O00255 2/20 0.68
MAPT P10636 2/20 0.68
KMT2A Q03164 2/20 0.68
AR P10275 1/20 0.68
HSD17B10 Q99714 3/20 0.57
TSHR P16473 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
CYP3A4 P08684 2/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.56
GFER P55789 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MGLL Q99685 1/20 0.55
ALOX15 P16050 1/20 0.55
ALOX12 P18054 1/20 0.55
PTGS1 P23219 1/20 0.55
SLC6A2 P23975 1/20 0.55
MAPK1 P28482 1/20 0.55

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
SCHEMBL29475330 0.98 ALDH1A1 (0.71) ALDH1A1MEN1MAPTKMT2AAR
SCHEMBL12619896 0.98 MAPT (0.71) ALDH1A1MEN1MAPTKMT2AAR
SCHEMBL29475332 0.98 ALDH1A1 (0.71) ALDH1A1MEN1MAPTKMT2AAR
SCHEMBL25912532 0.98 ALDH1A1 (0.64) ALDH1A1MEN1MAPTKMT2AAR
SCHEMBL2843753 0.98 ALDH1A1 (0.71) ALDH1A1MEN1MAPTKMT2AAR
SCHEMBL18411603 0.96 ALDH1A1 (0.62) ALDH1A1MEN1MAPTKMT2AAR
SCHEMBL31602193 0.95 ALDH1A1 (0.68) ALDH1A1MEN1MAPTKMT2AAR
SCHEMBL12367617 0.95 ALDH1A1 (0.68) ALDH1A1MEN1MAPTKMT2AAR
SCHEMBL29501296 0.95 ALDH1A1 (0.67) ALDH1A1MEN1MAPTKMT2AAR
SCHEMBL11961730 0.95 MAPT (0.75) ALDH1A1MEN1MAPTKMT2AAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023191353-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, AND COMPOSITION COMPRISING SAME FOR FORMING ORGANIC LAYER 엘티소재주식회사 2023-10-05 WO disclosed
WO-2022075746-A1 COMPOUND FOR ORGANIC ELECTRICAL ELEMENT, ORGANIC ELECTRICAL ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2022-04-14 WO disclosed
EP-2272894-B1 POLYMER COMPOUND, RETICULATED POLYMER COMPOUND PRODUCED BY CROSSLINKING THE POLYMER COMPOUND, COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY, AND ORGANIC EL LIGHTING MITSUBISHI CHEM CORP (JP) 2016-07-06 EP disclosed
WO-2015072730-A1 COMPOUND FOR ORGANIC ELECTRONIC DEVICE, ORGANIC ELECTRONIC DEVICE USING SAME, AND ELECTRONIC DEVICE USING SAME 덕산네오룩스 주식회사 2015-05-21 WO disclosed
WO-2015072730-A1 COMPOUND FOR ORGANIC ELECTRONIC DEVICE, ORGANIC ELECTRONIC DEVICE USING SAME, AND ELECTRONIC DEVICE USING SAME 덕산네오룩스 주식회사 2015-05-21 WO disclosed