SCHEMBL23208117

SCHEMBL23208117

c1ccc(Nc2ccc3c(c2)C2Sc4ccccc4C2S3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
AR P10275 1/20 0.44
HSD17B10 Q99714 5/20 0.43
TSHR P16473 4/20 0.43
TDP1 Q9NUW8 4/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
ALOX12 P18054 3/20 0.43
ALOX15 P16050 2/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
MAPK1 P28482 1/20 0.43
PTGS2 P35354 1/20 0.43
HTR2B P41595 1/20 0.43
CYP3A4 P08684 5/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 3/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL24564899 0.79 ALDH1A1 (0.37) ALDH1A1MAPTMEN1KMT2AAR
SCHEMBL24027795 0.76 ALDH1A1 (0.34) ALDH1A1MAPTMEN1KMT2AAR
SCHEMBL14101426 0.75 IDO1 (0.34) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL22180466 0.71 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2AAR
SCHEMBL13663470 0.66 ALDH1A1 (1.00) ALDH1A1MAPTMEN1KMT2AAR
N,N'-Diphenyl-P-Phenylenediamine SCHEMBL42930 0.66 ALDH1A1 (1.00) ALDH1A1MAPTMEN1KMT2AAR
SCHEMBL9480038 0.66 ALDH1A1 (1.00) ALDH1A1MAPTMEN1KMT2AAR
SCHEMBL7896372 0.66 ALDH1A1 (1.00) ALDH1A1MAPTMEN1KMT2AAR
SCHEMBL21771029 0.65 ACHE (0.36) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL17699109 0.64 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2AAR

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-2021066435-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2021-04-08 WO disclosed