SCHEMBL6507744

SCHEMBL6507744

Cc1csc(CN(CCC(=O)O)Cc2cccc(SC3CCCC3)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.36
MAOA P21397 1/20 0.36
FFAR4 Q5NUL3 3/20 0.34
MEP1B Q16820 2/20 0.33
AGTR2 P50052 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FFAR1 O14842 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
KCNH2 Q12809 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31
NR1H4 Q96RI1 1/20 0.30

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
SCHEMBL6516272 0.88 ATM (0.41) ATMFFAR4MEP1BALDH1A1L3MBTL1
SCHEMBL6511195 0.87 NPC1 (0.42) ATMFFAR4ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL6508460 0.85 HTR2C (0.36) MAOAMEP1BL3MBTL1FFAR1SMN1; SMN2
SCHEMBL6511522 0.83 GAA (0.40) ATMMAOAMEP1BALDH1A1GAA
SCHEMBL6533581 0.83 POLB (0.38) ATMFFAR4MEP1BALDH1A1SMN1; SMN2
SCHEMBL6531739 0.82 ATM (0.38) ATMFFAR4MEP1BALDH1A1GAA
SCHEMBL6532728 0.82 ATM (0.39) ATMFFAR4MEP1BNR1H4
SCHEMBL6533389 0.81 MAPT (0.41) FFAR4MEP1BFFAR1
SCHEMBL6512333 0.79 SLC2A1 (0.45) FFAR4FFAR1
SCHEMBL6508922 0.79 ATM (0.35) ATMFFAR4MEP1BALDH1A1GAA

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-2005097100-A2 ANTIBACTERIAL AGENTS PROLYSIS LTD. (GB) 2005-10-20 WO disclosed