SCHEMBL25836138

SCHEMBL25836138

Fc1c(F)c(-c2cccc(OC(F)(F)F)c2)c(F)c(F)c1S

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 6/20 0.49
▸ DHFR P00374 2/20 0.47
▸ XDH P47989 1/20 0.41
▸ GALR1 P47211 1/20 0.41
▸ DYRK1A Q13627 2/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ SCN10A Q9Y5Y9 1/20 0.40
▸ NPY5R Q15761 1/20 0.39
▸ GRM5 P41594 1/20 0.39
▸ ADORA1 P30542 2/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ CTSS P25774 1/20 0.37
▸ CTSK P43235 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
SCHEMBL25836130 0.84 DHODH (0.49) DHODHDHFRXDHGALR1DYRK1A
SCHEMBL24180475 0.84 DHODH (0.49) DHODHDHFRXDHGALR1DYRK1A
SCHEMBL29441254 0.83 DHODH (0.50) DHODHDHFRXDHGALR1DYRK1A
SCHEMBL21363278 0.76 XDH (0.44) DHODHXDHGALR1DYRK1AKCNH2
SCHEMBL29019396 0.74 DHODH (0.44) DHODHDHFRXDHGALR1
SCHEMBL5840598 0.73 SLC13A5 (0.51) DHODHXDHGALR1DYRK1AKCNH2
SCHEMBL3560562 0.73 DHODH (0.40) DHODHDHFRXDHGALR1DYRK1A
SCHEMBL3147185 0.72 GPR3 (0.50) XDHGALR1
SCHEMBL24315321 0.72 ADORA1 (0.41) DHODHXDHGALR1DYRK1AKCNH2
SCHEMBL159683 0.71 GPR3 (0.42) XDHGALR1

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
Send feedback