SCHEMBL6206850

SCHEMBL6206850

C=C(N)C(=O)OC(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PTGS1 P23219 1/20 0.40
CTNNB1 P35222 2/20 0.39
WNT3A P56704 2/20 0.39
PARP1 P09874 1/20 0.39
CNR2 P34972 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTPRC P08575 1/20 0.37
MRGPRX1 Q96LB2 1/20 0.37
KCNK3 O14649 1/20 0.37
KCNK9 Q9NPC2 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL1405144 0.83 LMNA (0.58) LMNAGAAPTGS1CTNNB1WNT3A
SCHEMBL6207031 0.79 CES2 (0.47) LMNAGAANPC1RAB9ATDP1
SCHEMBL6675290 0.77 LMNA (0.51) LMNAGAANPC1RAB9APTGS1
SCHEMBL6207827 0.77 HPGD (0.52) LMNAGAANPC1RAB9ATDP1
SCHEMBL513905 0.76 LMNA (0.55) LMNAGAANPC1RAB9APTGS1
SCHEMBL6205138 0.76 LMNA (0.47) LMNAGAANPC1RAB9APTGS1
SCHEMBL10519876 0.76 LMNA (0.58) LMNAGAAPTGS1CTNNB1WNT3A
SCHEMBL6205116 0.76 NPC1 (0.50) LMNANPC1RAB9AMAOB
SCHEMBL6206781 0.76 RAB9A (0.50) LMNAGAANPC1RAB9ATDP1
SCHEMBL3430652 0.76 LMNA (0.50) LMNAGAACTNNB1WNT3ACNR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1532128-A1 INHIBITORS OF HCV NS5B POLYMERASE Pharmacia & Upjohn Company LLC (US) 2005-05-25 EP disclosed
WO-2004002977-A1 INHIBITORS OF HCV NS5B POLYMERASE PHARMACIA & UPJOHN COMPANY LLC (US) 2004-01-08 WO disclosed