SCHEMBL10444497

SCHEMBL10444497

Cc1cccc(CC(O)=S)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.54
POLB P06746 1/20 0.49
TAAR1 Q96RJ0 2/20 0.48
IDO1 P14902 2/20 0.47
ALDH1A1 P00352 4/20 0.44
GAA P10253 2/20 0.44
TP53 P04637 1/20 0.44
ACHE P22303 1/20 0.44
LMNA P02545 4/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.42
ALOX12 P18054 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL7222240 0.82 CTBP2 (0.49) CTBP2POLBTAAR1IDO1ALDH1A1
SCHEMBL4886797 0.82 TAAR1 (0.52) CTBP2POLBTAAR1IDO1ALDH1A1
SCHEMBL29407189 0.79 CTBP2 (0.64) CTBP2POLBTAAR1ALDH1A1GAA
SCHEMBL2532630 0.79 CTBP2 (0.64) CTBP2POLBTAAR1ALDH1A1GAA
SCHEMBL504093 0.79 CTBP2 (0.64) CTBP2POLBTAAR1ALDH1A1GAA
SCHEMBL27619612 0.78 CTBP2 (0.53) CTBP2POLBTAAR1IDO1ACHE
SCHEMBL24458263 0.78 CTBP2 (0.57) CTBP2POLBTAAR1IDO1ALDH1A1
SCHEMBL19266040 0.78 TAAR1 (0.52) CTBP2POLBTAAR1IDO1ACHE
SCHEMBL4685293 0.78 CTBP2 (0.57) CTBP2POLBTAAR1IDO1ALDH1A1
Ammonia Solution, Strong SCHEMBL22042028 0.78 CTBP2 (0.62) CTBP2POLBTAAR1ALDH1A1GAA

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
EP-0376166-A1 Condensed quinoline system compound and process of preparation thereof MECT CORPORATION (JP) 1990-07-04 EP disclosed