SCHEMBL10272774

SCHEMBL10272774

O=C(O)c1ccc(CSc2nc3cc(F)c(Cl)cc3s2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.53
PKM P14618 2/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
HPGD P15428 3/20 0.50
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
GFER P55789 1/20 0.49
LMNA P02545 3/20 0.49
HTT P42858 3/20 0.47
KDM4E B2RXH2 2/20 0.47
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
POLB P06746 2/20 0.45
FFAR1 O14842 1/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC1 Q13547 1/20 0.44

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
SCHEMBL2732646 0.87 CYP1A2 (0.53) MAPTHPGDALDH1A1NPC1RAB9A
SCHEMBL2733568 0.78 MAPT (0.61) MAPTPKMCTDSP1HPGDALDH1A1
SCHEMBL10687158 0.77 NPC1 (0.79) MAPTPKMCTDSP1HPGDALDH1A1
SCHEMBL8291917 0.75 ALOX5 (0.64) MAPTALDH1A1SMN1; SMN2HDAC1TP53
SCHEMBL211295 0.73 ALOX5 (0.67) MAPTALDH1A1SMN1; SMN2HDAC1TP53
SCHEMBL214248 0.70 MAPT (0.53) MAPTPKMCTDSP1HPGDALDH1A1
SCHEMBL211621 0.70 MAPT (0.67) MAPTPKMCTDSP1HPGDALDH1A1
SCHEMBL8359674 0.67 MAOB (0.56) MAPTPKMCTDSP1HPGDALDH1A1
SCHEMBL9393839 0.67 SMN1; SMN2 (0.55) HPGDALDH1A1NPC1RAB9AKMT2A
SCHEMBL211118 0.67 HSD17B10 (0.57) NPC1RAB9AKMT2AMEN1HDAC1

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-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed