SCHEMBL27873166

SCHEMBL27873166

c1csc(-c2ccc3cccc4c5cccc6cccc(c2c34)c65)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.45
HPGD P15428 6/20 0.45
HSD17B10 Q99714 4/20 0.45
CYP1A2 P05177 2/20 0.45
THRB P10828 1/20 0.45
KDM4E B2RXH2 7/20 0.40
MAPT P10636 7/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAOB P27338 1/20 0.40
ERBB2 P04626 1/20 0.38
FYN P06241 1/20 0.38
MAOA P21397 1/20 0.38
ACHE P22303 1/20 0.38
AHR P35869 1/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
ATM Q13315 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
SCHEMBL8935142 0.82 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10CYP1A2THRB
SCHEMBL28462222 0.81 ALDH1A1 (0.43) ALDH1A1HPGDHSD17B10CYP1A2THRB
SCHEMBL9559475 0.79 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL16321276 0.79 ALDH1A1 (0.64) ALDH1A1HPGDHSD17B10CYP1A2THRB
SCHEMBL29656951 0.79 ALDH1A1 (0.64) ALDH1A1HPGDHSD17B10CYP1A2THRB
SCHEMBL2241316 0.77 MAOB (0.35) ALDH1A1HPGDCYP1A2KDM4EMAPT
SCHEMBL24186738 0.75 ALDH1A1 (0.39) ALDH1A1HPGDHSD17B10CYP1A2THRB
SCHEMBL13408684 0.74 NPC1 (0.49) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL14302443 0.74 MAOB (0.41) ALDH1A1HPGDHSD17B10CYP1A2KDM4E
SCHEMBL29669708 0.74 ALDH1A1 (0.56) ALDH1A1HPGDHSD17B10CYP1A2THRB

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-102703309-A Nucleic acid amplification reaction device, substrate used for nucleic acid amplification reaction device, and nucleic acid amplification reaction method SONY CORP 2012-10-03 CN disclosed