SCHEMBL28031072

SCHEMBL28031072

O=[SH](c1ccccc1)(c1ccccc1)c1ccc(Sc2ccc([SH](=O)(c3ccccc3)c3ccccc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.42
ALDH1A1 P00352 1/20 0.42
MAOA P21397 3/20 0.40
MAOB P27338 3/20 0.40
BCL2 P10415 1/20 0.35
MCL1 Q07820 1/20 0.35
MAPK1 P28482 2/20 0.35
NR1H2 P55055 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
SLC6A4 P31645 1/20 0.34
MMP3 P08254 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 4/20 0.33
TP53 P04637 1/20 0.33
CHRNA7 P36544 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL16469969 0.98 HPGD (0.45) HPGDALDH1A1MAOAMAOBBCL2
SCHEMBL28626075 0.90 HPGD (0.40) HPGDALDH1A1MAOAMAOBBCL2
SCHEMBL14838197 0.82 ALDH1A1 (0.35) ALDH1A1CYP3A4TSHRL3MBTL1LMNA
SCHEMBL16470214 0.77 HPGD (0.48) HPGDALDH1A1MAOAMAOBBCL2
SCHEMBL14142907 0.73 ACHE (0.48) HPGDALDH1A1TSHRLMNAMAPT
SCHEMBL16470780 0.73 ALDH1A1 (0.48) HPGDALDH1A1MAOAMAOBMAPK1
SCHEMBL14838232 0.73 CA12 (0.48) HPGDALDH1A1MAOAMAOBNR1H2
SCHEMBL16470703 0.73 IDO1 (0.32) MAPT
SCHEMBL16470400 0.73 HPGD (0.48) HPGDALDH1A1MAOAMAOBBCL2
SCHEMBL23277364 0.73 MAOA (0.62) HPGDALDH1A1MAOAMAOBBCL2

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
CN-102803304-B photoinitiated reaction LINTFIELD LTD. (GB) 2015-08-05 CN disclosed