SCHEMBL8933406

SCHEMBL8933406

COc1ccc(C[S+]([O-])c2ccccc2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.44
HTT P42858 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ATM Q13315 1/20 0.42
IDO1 P14902 2/20 0.39
SIGMAR1 Q99720 1/20 0.38
ALDH1A1 P00352 4/20 0.38
ALOX12 P18054 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
KEAP1 Q14145 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL6911940 0.83 CYP2C9 (0.36) HTTL3MBTL1ALDH1A1LMNASMN1; SMN2
SCHEMBL29285349 0.78 LTA4H (0.53) LTA4HHTTTDP1L3MBTL1IDO1
SCHEMBL8933405 0.75 KEAP1 (0.41) LTA4HTDP1L3MBTL1ATMALDH1A1
SCHEMBL19309384 0.73 HTR1A (0.40) LTA4HL3MBTL1IDO1ALDH1A1ALOX12
SCHEMBL19308138 0.73 ACHE (0.39) L3MBTL1IDO1ALDH1A1ALOX12LMNA
SCHEMBL3387953 0.73 IDO1 (0.52) LTA4HIDO1ALDH1A1ALOX12SMN1; SMN2
SCHEMBL11655848 0.72 RAB9A (0.43) LTA4HHTTTDP1L3MBTL1IDO1
SCHEMBL29285346 0.71 CA12 (0.41) LTA4HL3MBTL1ALDH1A1LMNATP53
SCHEMBL5519899 0.71 IDO1 (0.50) LTA4HIDO1ALDH1A1ALOX12SMN1; SMN2
SCHEMBL12934387 0.70 LTA4H (0.67) LTA4HHTTTDP1L3MBTL1IDO1

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
WO-1996024601-A1 COMPLEXES, PROCESSES FOR THEIR PREPARATION AND THEIR USE UNIVERSITY COLLEGE DUBLIN (IE) 1996-08-15 WO claimed
WO-1996024601-A1 COMPLEXES, PROCESSES FOR THEIR PREPARATION AND THEIR USE UNIVERSITY COLLEGE DUBLIN (IE) 1996-08-15 WO disclosed