SCHEMBL16319608

SCHEMBL16319608

COc1cc(Cl)ccc1Oc1ccc(C=O)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
ERN1 O75460 4/20 0.43
HPGD P15428 1/20 0.43
TTR P02766 2/20 0.43
HTR2A P28223 3/20 0.42
SLC6A4 P31645 3/20 0.42
KCNH2 Q12809 3/20 0.42
SCN8A Q9UQD0 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42
AXL P30530 1/20 0.41
KDR P35968 1/20 0.40
SRC P12931 1/20 0.40
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 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
SCHEMBL22809674 0.85 SCN8A (0.47) ALDH1A1ERN1HPGDHTR2ASLC6A4
SCHEMBL16507404 0.83 ALDH1A1 (0.54) ALDH1A1ERN1TTRLMNACYP1A2
SCHEMBL19563667 0.81 ALDH1A1 (0.50) ALDH1A1ERN1HPGDTTRSLC6A4
SCHEMBL16319704 0.81 ALDH1A1 (0.53) ALDH1A1ERN1HPGDTTRSLC6A4
SCHEMBL19563634 0.81 ALDH1A1 (0.64) ALDH1A1ERN1HPGDTTRSLC6A4
SCHEMBL18570618 0.80 SCN8A (0.47) ALDH1A1ERN1HPGDTTRSLC6A4
SCHEMBL24512757 0.79 TDP1 (0.44) ALDH1A1ERN1TDP1
SCHEMBL18570748 0.77 HTR2A (0.43) ALDH1A1ERN1HPGDHTR2ASLC6A4
SCHEMBL19563648 0.77 SCN8A (0.47) ALDH1A1ERN1HPGDTTRHTR2A
SCHEMBL756641 0.76 ALDH1A1 (0.51) ALDH1A1ERN1LMNACYP1A2CYP2C9

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