SCHEMBL2467438

SCHEMBL2467438

O=[C]c1c(O)c2cc(-c3ccccc3C(F)(F)F)ccc2sc1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.40
TRPA1 O75762 3/20 0.39
CYP3A4 P08684 4/20 0.37
CYP1A2 P05177 4/20 0.37
CYP2C19 P33261 4/20 0.37
USP2 O75604 3/20 0.37
CYP2D6 P10635 3/20 0.37
TSHR P16473 3/20 0.37
CLK4 Q9HAZ1 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
HPGD P15428 2/20 0.36
PGR P06401 1/20 0.36
BACE1 P56817 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
SLC13A5 Q86YT5 1/20 0.34
SCN9A Q15858 1/20 0.34

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
SCHEMBL2472066 0.80 RXRA (0.38)
SCHEMBL2469489 0.78 MAPK1 (0.41) TRPA1CYP3A4CYP1A2CYP2C19USP2
SCHEMBL28019089 0.76 HPGD (0.36) ARTRPA1CYP3A4CYP1A2CYP2C19
SCHEMBL2472274 0.75 PIM2 (0.42)
SCHEMBL2472286 0.75 PDE10A (0.39) CYP3A4CYP1A2CYP2C19USP2CYP2D6
SCHEMBL2233877 0.72 ALDH1A1 (0.44) ALDH1A1MAPK1FEN1LMNA
SCHEMBL2471993 0.70 RXRA (0.38)
SCHEMBL2470737 0.69 ESR1 (0.38) ARTRPA1CYP3A4CYP1A2CYP2C19
SCHEMBL2470244 0.66 EGLN3 (0.40) PDE10A
SCHEMBL28403515 0.66 AR (0.56) ARTRPA1CYP3A4CYP1A2CYP2C19

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-2370422-A1 THIOCHROMENE DERIVATIVES AS HIP HYDROXYLASE INHIBITORS Fibrogen, Inc. (US) 2011-10-05 EP disclosed
WO-2010056767-A1 THIOCHROMENE DERIVATIVES AS HIP HYDROXYLASE INHIBITORS FIBROGEN, INC. (US) 2010-05-20 WO disclosed