SCHEMBL7314285

SCHEMBL7314285

C=Cc1ccc(SC)c(SC)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 2/20 0.40
TP53 P04637 1/20 0.40
TRPA1 O75762 1/20 0.38
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
LRRK2 Q5S007 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL16960312 0.83 TP53 (0.42) ALDH1A1TDP1TP53TRPA1SLC6A2
SCHEMBL16951340 0.81 ALDH1A1 (0.39) ALDH1A1TDP1TP53TRPA1SLC6A2
SCHEMBL16950525 0.81 ALDH1A1 (0.39) ALDH1A1TDP1TP53TRPA1SLC6A2
SCHEMBL16955677 0.81 ALDH1A1 (0.39) ALDH1A1TDP1TP53TRPA1SLC6A2
SCHEMBL2097373 0.78 LCK (0.32) ALDH1A1
SCHEMBL2097370 0.78 LCK (0.32) ALDH1A1
SCHEMBL16958135 0.78 TRPA1 (0.58) ALDH1A1TDP1TRPA1MAPTTSHR
SCHEMBL3406735 0.77 ALDH1A1 (0.52) ALDH1A1TDP1TSHR
SCHEMBL7314280 0.77 ALDH1A1 (0.32) ALDH1A1
SCHEMBL19066594 0.77 SLC6A2 (0.35) ALDH1A1TDP1TP53TRPA1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4845100-A WITH HYPOTENSIVE AND ANTIINFLAMMATORY ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-04 US disclosed
EP-0202760-A2 Carbostyril derivatives and salts thereof, processes for preparing the same and cardiotonic composition containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-11-26 EP disclosed