SCHEMBL6976477

SCHEMBL6976477

Cc1ccc(-c2csc(C(C)(C)CN)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.53
RAB9A P51151 9/20 0.49
ALDH1A1 P00352 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
NPC1 O15118 5/20 0.48
MAPT P10636 5/20 0.48
GFER P55789 1/20 0.48
SREBF2 Q12772 3/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
SREBF1 P36956 1/20 0.43
AR P10275 1/20 0.41
ALOX5 P09917 1/20 0.41
AMY1A P0DUB6 1/20 0.41
GAA P10253 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ATM Q13315 2/20 0.40
POLB P06746 1/20 0.40
GSTO1 P78417 1/20 0.40

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
SCHEMBL2225043 0.88 RAB9A (0.49) LTA4HRAB9AALDH1A1L3MBTL1NPC1
SCHEMBL2225564 0.88 RAB9A (0.54) LTA4HRAB9AALDH1A1L3MBTL1NPC1
SCHEMBL2225642 0.87 ALDH1A1 (0.51) LTA4HRAB9AALDH1A1NPC1MAPT
SCHEMBL14672183 0.86 LTA4H (0.46) LTA4HRAB9AALDH1A1L3MBTL1NPC1
SCHEMBL2225700 0.85 LTA4H (0.55) LTA4HALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL12282550 0.81 RAB9A (0.54) LTA4HRAB9AALDH1A1L3MBTL1NPC1
SCHEMBL2225766 0.78 MEN1 (0.39) LTA4HRAB9AALDH1A1L3MBTL1NPC1
SCHEMBL16217968 0.75 RAB9A (0.65) LTA4HRAB9AALDH1A1L3MBTL1NPC1
SCHEMBL231094 0.73 LTA4H (0.80) LTA4HRAB9AALDH1A1NPC1MAPT
Bromide SCHEMBL8360772 0.72 LTA4H (0.77) LTA4HRAB9AALDH1A1NPC1MAPT

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-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed