SCHEMBL28060131

SCHEMBL28060131

CC(=O)Oc1cc(C(F)(F)F)n(Cc2cccc(Cl)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
PLA2G1B P04054 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
SLC16A3 O15427 1/20 0.44
MCTS1 Q9ULC4 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
TP53 P04637 4/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 2/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
P2RY14 Q15391 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 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
SCHEMBL16347892 0.80 SMN1; SMN2 (0.47) MAPTKMT2AMEN1PLA2G1BL3MBTL1
SCHEMBL16347055 0.79 P2RY14 (0.54) MAPTKMT2AMEN1PLA2G1BL3MBTL1
SCHEMBL16347247 0.75 L3MBTL1 (0.45) MAPTKMT2AMEN1PLA2G1BL3MBTL1
SCHEMBL16347331 0.70 PLA2G1B (0.43) MAPTKMT2AMEN1PLA2G1BL3MBTL1
SCHEMBL16347308 0.69 ADORA2A (0.47) MAPTKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL28060213 0.69 L3MBTL1 (0.45) MAPTKMT2APLA2G1BL3MBTL1ATG4B
SCHEMBL24117432 0.67 KLKB1 (0.47) MAPTKMT2AMEN1SMN1; SMN2HPGD
SCHEMBL16347473 0.66 L3MBTL1 (0.37) MAPTKMT2AMEN1PLA2G1BL3MBTL1
SCHEMBL15062378 0.65 PLA2G2A (0.43) MAPTPLA2G1BL3MBTL1ATG4B
SCHEMBL24117433 0.65 KLKB1 (0.45) P2RY14HDAC3HDAC4HDAC1HDAC7

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-105492429-A Heteroaryl inhibitors of SUMO activating enzyme MILLENNIUM PHARM INC 2016-04-13 CN disclosed