SCHEMBL30445175

SCHEMBL30445175

C=C(OCC)c1ncc(C(N)=O)cc1F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.38
▸ PARP10 Q53GL7 1/20 0.36
▸ VNN1 O95497 1/20 0.36
▸ HPGDS O60760 1/20 0.35
▸ NNMT P40261 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MMP2 P08253 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ JMJD6 Q6NYC1 1/20 0.33

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
SCHEMBL28495539 0.77 S1PR1 (0.39) MAPK1MAPTHTTL3MBTL1POLB
SCHEMBL30445706 0.75 TSHR (0.46) TSHRPARP10VNN1HPGDSNNMT
SCHEMBL12350329 0.74 NNMT (0.40) VNN1HPGDSNNMT
SCHEMBL26337535 0.72 LMNA (0.42) VNN1HPGDSNNMTLMNA
SCHEMBL29108175 0.71 PDE1B (0.35) HTTL3MBTL1JMJD6
SCHEMBL30445348 0.71 HPGDS (0.39) VNN1HPGDSNNMT
SCHEMBL23912583 0.71 HTT (0.48) MAPK1MAPTLMNAHTTMMP2
SCHEMBL25193035 0.71 DGAT1 (0.45) PARP10MAPK1MAPTLMNAL3MBTL1
SCHEMBL31161564 0.71 DGAT1 (0.40) MAPK1MAPTHTTL3MBTL1JMJD6
SCHEMBL14830838 0.70 CYP2C9 (0.47) MAPK1MAPTHTTL3MBTL1

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-4405344-A2 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS Xenon Pharmaceuticals Inc. (CA) 2024-07-31 — — EP disclosed
WO-2023049369-A2 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS XENON PHARMACEUTICALS INC. (CA) 2023-03-30 — — WO disclosed
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