SCHEMBL25836130

SCHEMBL25836130

Cc1c(F)c(F)c(-c2cccc(OC(F)(F)F)c2)c(F)c1F

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 7/20 0.49
▸ DHFR P00374 2/20 0.47
▸ F10 P00742 1/20 0.44
▸ KCNH2 Q12809 2/20 0.43
▸ SCN10A Q9Y5Y9 1/20 0.43
▸ XDH P47989 1/20 0.41
▸ GALR1 P47211 1/20 0.41
▸ DYRK1A Q13627 2/20 0.40
▸ TRPC5 Q9UL62 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ CLK2 P49760 1/20 0.39
▸ HASPIN Q8TF76 1/20 0.39
▸ NPY5R Q15761 1/20 0.39
▸ PRMT1 Q99873 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
SCHEMBL25836138 0.84 DHODH (0.49) DHODHDHFRKCNH2SCN10AXDH
SCHEMBL24180475 0.84 DHODH (0.49) DHODHDHFRKCNH2SCN10AXDH
SCHEMBL29441254 0.83 DHODH (0.50) DHODHDHFRKCNH2SCN10AXDH
SCHEMBL5542229 0.76 PTGES2 (0.50) DHODHKCNH2SCN10AXDHGALR1
SCHEMBL1044062 0.75 CYP1A2 (0.51) DHODHKCNH2SCN10AXDHGALR1
SCHEMBL29019396 0.74 DHODH (0.44) DHODHDHFRXDHGALR1
SCHEMBL16809183 0.74 HCRTR1 (0.44) DHODHKCNH2SCN10ADYRK1A
SCHEMBL5840598 0.73 SLC13A5 (0.51) DHODHKCNH2SCN10AXDHGALR1
SCHEMBL3560562 0.73 DHODH (0.40) DHODHDHFRKCNH2SCN10AXDH
SCHEMBL19992722 0.73 AKT2 (0.53) DHODHDHFRKCNH2SCN10AXDH

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-2023118576-A1 DHODH INHIBITORS CONTAINING A CARBOXYLIC ACID BIOISOSTERE IMMUNIC AG (DE) 2023-06-29 — — WO disclosed
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