SCHEMBL16319179

SCHEMBL16319179

COc1cc(F)ccc1Oc1cc(F)c(C(N)=O)cc1F

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.47
LMNA P02545 2/20 0.47
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
PARP14 Q460N5 1/20 0.43
PARP10 Q53GL7 1/20 0.43
CSF1R P07333 3/20 0.43
BRD4 O60885 1/20 0.42
SCN8A Q9UQD0 2/20 0.41
SCN10A Q9Y5Y9 2/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL365692 0.96 LMNA (0.48) HTTLMNACYP1A2CYP3A4CYP2C19
SCHEMBL365684 0.82 SCN10A (0.47) HTTLMNACYP1A2CYP2C19PARP14
SCHEMBL16319445 0.82 SLC6A2 (0.49) HTTLMNAPARP14PARP10CSF1R
SCHEMBL16319558 0.82 SCN9A (0.43) HTTLMNAPARP14PARP10CSF1R
SCHEMBL16319728 0.80 SCN8A (0.44) HTTLMNASCN8ASCN10ARAB9A
SCHEMBL28143231 0.80 PARP10 (0.48) HTTLMNACYP1A2CYP3A4CYP2C19
SCHEMBL16319893 0.80 SCN9A (0.58) SCN8ASCN10A
SCHEMBL30553104 0.80 SCN8A (0.58) LMNACSF1RSCN8ASCN10A
SCHEMBL16175331 0.78 MKNK1 (0.45) HTTLMNAPARP14PARP10CSF1R
SCHEMBL15094065 0.77 HTT (0.50) HTTLMNAPARP14PARP10MAPK1

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