SCHEMBL28148776

SCHEMBL28148776

O=S(=O)(c1ccc(Cn2cccn2)cc1)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
KAT7 O95251 2/20 0.44
KAT6A Q92794 2/20 0.44
HSD11B1 P28845 11/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
NAMPT P43490 1/20 0.41
COMT P21964 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL28150075 0.89 CA12 (0.49) CA12CA1CA2CA9KAT7
SCHEMBL28844823 0.86 CA12 (0.58) CA12CA1CA2CA9KAT7
SCHEMBL22446082 0.83 CA12 (0.52) CA12CA1CA2CA9KAT7
SCHEMBL28150066 0.82 CA12 (0.49) CA12CA1CA2CA9KAT7
SCHEMBL28953341 0.81 CA12 (0.50) CA12CA1CA2CA9KAT7
SCHEMBL28845079 0.80 CA12 (0.49) CA12CA1CA2CA9KAT7
SCHEMBL28844960 0.80 MEN1 (0.43) CA12CA1CA2CA9KAT7
SCHEMBL28149998 0.80 CA12 (0.51) CA12CA1CA2CA9KAT7
SCHEMBL28149935 0.79 CA12 (0.50) CA12CA1CA2CA9KAT7
SCHEMBL28149987 0.79 CA12 (0.50) CA12CA1CA2CA9KAT7

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
CN-103384668-B compounds and compositions for inhibition of NAMPT 福马TM有限责任公司 2017-05-31 CN claimed