SCHEMBL16319791

SCHEMBL16319791

COc1cc(Oc2ccc(Cl)c(C(F)(F)F)c2)ccc1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.52
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
SCN9A Q15858 4/20 0.48
CHEK2 O96017 1/20 0.47
RAF1 P04049 3/20 0.47
PARP15 Q460N3 2/20 0.46
PARP10 Q53GL7 2/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL16319640 0.88 BRAF (0.57) BRAFHDAC3HDAC4HDAC1HDAC7
SCHEMBL16319405 0.84 BRAF (0.51) BRAFHDAC3HDAC4HDAC1HDAC7
SCHEMBL16319516 0.83 SCN9A (0.48) BRAFHDAC3HDAC4HDAC1HDAC7
SCHEMBL365203 0.81 SCN9A (0.60) SCN9AMAPTLMNAGAA
SCHEMBL364213 0.80 CHEK2 (0.64) BRAFHDAC3HDAC4HDAC1HDAC7
SCHEMBL5110353 0.79 MAPT (0.43) MAPTLMNAGAAMAPK10MAPK8
SCHEMBL16319732 0.79 SCN9A (0.48) BRAFHDAC3HDAC4HDAC1HDAC7
SCHEMBL16319795 0.79 SCN9A (0.55) BRAFHDAC3HDAC4HDAC1HDAC7
SCHEMBL16320136 0.79 SCN9A (0.61) BRAFHDAC3HDAC4HDAC1HDAC7
SCHEMBL364785 0.78 ALDH1A1 (0.55) BRAFSCN9ACHEK2RAF1MAPT

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
EP-2593427-B1 SULFONAMIDE DERIVATIVES AS NAV1.7 INHIBITORS FOR THE TREATMENT OF PAIN PFIZER LTD (GB) 2014-12-24 EP disclosed