SCHEMBL9390366

SCHEMBL9390366

CCCOc1ccccc1CS(=O)(=O)OCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ATM Q13315 2/20 0.43
HPGD P15428 2/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP1A2 P05177 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
SCHEMBL9394475 0.94 L3MBTL1 (0.47) L3MBTL1MAPTNPSR1ATMHPGD
SCHEMBL8310193 0.87 GAA (0.49) L3MBTL1MAPTHPGDMEN1KMT2A
SCHEMBL9133505 0.82 ALDH1A1 (0.43) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL4592851 0.79 KMT2A (0.46) MAPTHPGDKMT2AKDM4EALDH1A1
SCHEMBL28197534 0.79 IDO1 (0.38) L3MBTL1HPGDKMT2AALDH1A1TSHR
SCHEMBL5420692 0.79 L3MBTL1 (0.71) L3MBTL1MAPTNPSR1ATMHPGD
SCHEMBL9390803 0.76 MAPK1 (0.36) L3MBTL1MAPK1SLC6A2SLC6A4SLC6A3
SCHEMBL5657713 0.76 L3MBTL1 (0.46) L3MBTL1MAPTNPSR1ATMHPGD
SCHEMBL5166737 0.76 L3MBTL1 (0.45) L3MBTL1MAPTNPSR1ATMHPGD
SCHEMBL8045970 0.75 L3MBTL1 (0.56) L3MBTL1MAPTNPSR1ATMHPGD

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-1994018200-A1 NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE GENSIA, INC. (US) 1994-08-18 WO disclosed