SCHEMBL12762162

SCHEMBL12762162

c1csc([S+](c2cccs2)c2cccs2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.39
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
DAO P14920 1/20 0.35
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
HPGD P15428 2/20 0.33
ATM Q13315 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LTA4H P09960 1/20 0.32

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
SCHEMBL246867 0.82 KMT2A (0.33) FBP1CES2CES1TSHRHSD17B10
SCHEMBL4761802 0.82 KMT2A (0.33) FBP1CES2CES1TSHRHSD17B10
SCHEMBL2786372 0.79 FBP1 (0.38) FBP1CES2CES1TSHRHSD17B10
SCHEMBL1469936 0.77 ALDH1A1 (0.32) HSD17B10DAOALDH1A1KMT2AMEN1
SCHEMBL4763480 0.75 ALDH1A1 (0.31) ALDH1A1KMT2AHPGDHTT
SCHEMBL711758 0.75
SCHEMBL1251856 0.75 MEN1 (0.32) DAOKMT2AMEN1
SCHEMBL763933 0.75
SCHEMBL1609001 0.75
SCHEMBL8043864 0.69

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
US-7914965-B2 Resist composition and method of pattern formation with the same FUJIFILM CORPORATION (JP) 2011-03-29 US disclosed