SCHEMBL31469752

SCHEMBL31469752

FC(F)(F)Cc1ccc(Cl)cn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.43
CYP19A1 P11511 2/20 0.34
DAO P14920 1/20 0.34
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PLAU P00749 1/20 0.33
MBOAT4 Q96T53 1/20 0.33
NFE2L2 Q16236 2/20 0.33
S1PR4 O95977 1/20 0.33
PDK2 Q15119 1/20 0.33
MAOB P27338 1/20 0.32

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
SCHEMBL22719068 1.00 TRPA1 (0.43) TRPA1CYP19A1DAOADRA2AADRA2B
SCHEMBL10245078 0.79 TRPA1 (0.37) TRPA1CYP19A1DAOADRA2AADRA2B
SCHEMBL3756670 0.77 DAO (0.39) TRPA1DAOMBOAT4
SCHEMBL31508083 0.77 CA12 (0.41) ADRA2AADRA2BADRA2CMAOB
SCHEMBL8015449 0.76 ALDH1A1 (0.31)
SCHEMBL23148799 0.75 GBA1 (0.41) ADRA2AADRA2BADRA2CL3MBTL1PLAU
SCHEMBL9839010 0.75
SCHEMBL23600947 0.75 CCR1 (0.43) DAOADRA2AADRA2BADRA2CL3MBTL1
SCHEMBL31207468 0.75 GBA1 (0.41) ADRA2AADRA2BADRA2CL3MBTL1PLAU
SCHEMBL1790656 0.73 DAO (0.40) TRPA1DAOL3MBTL1

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
WO-2025030002-A2 DGK TARGETING COMPOUNDS AND USES THEREOF ARVINAS OPERATIONS, INC. (US) 2025-02-06 WO disclosed