SCHEMBL31588577

SCHEMBL31588577

[2H]c1cn(-c2ccc(C(F)(F)F)cc2)nn1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 11/20 0.45
▸ KCNH2 Q12809 2/20 0.39
▸ PTGS2 P35354 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.36
▸ CASR P41180 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35

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
SCHEMBL29379232 0.78 RXRA (0.42) NOTUM
SCHEMBL29378534 0.76 MAPT (0.50) NOTUMTDP1CA12CA1CA2
SCHEMBL29379236 0.75 NOTUM (0.47) NOTUM
Formic Acid SCHEMBL28102282 0.73 NOTUM (0.55) NOTUM
SCHEMBL28025989 0.70 NOTUM (0.65) NOTUMKCNH2
SCHEMBL5007470 0.69 HTT (0.51) NOTUMKCNH2PTGS2TDP1CASR
SCHEMBL29378354 0.68 NOTUM (0.47) NOTUMKCNH2
SCHEMBL28646619 0.67 NOTUM (0.63) NOTUMKCNH2PTGS2
SCHEMBL30999699 0.67 NPC1 (0.54) NOTUMCASR
SCHEMBL3318259 0.67 NOTUM (0.58) NOTUMKCNH2CASR

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-2025104081-A1 TRIAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS REMYND N.V. (BE) 2025-05-22 — — WO disclosed
Send feedback