SCHEMBL4771472

SCHEMBL4771472

CN(C)c1ncc(C(N)=O)cn1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.67
ALDH1A1 P00352 1/20 0.67
ALOX15 P16050 1/20 0.67
HSD17B10 Q99714 1/20 0.67
NNMT P40261 8/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.40
HPGDS O60760 1/20 0.40
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
PSMD14 O00487 1/20 0.38
STAMBP O95630 1/20 0.38
COPS5 Q92905 1/20 0.38
GRM5 P41594 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
SCHEMBL3121440 0.82 KDM4E (0.46) KDM4EALDH1A1ALOX15HSD17B10NNMT
SCHEMBL185994 0.80 ALDH1A1 (1.00) KDM4EALDH1A1ALOX15HSD17B10HPGD
SCHEMBL23407776 0.80 KDM4E (0.69) KDM4EALDH1A1ALOX15HSD17B10HPGD
SCHEMBL3132631 0.79 KDM4E (0.43) KDM4EALDH1A1ALOX15HSD17B10NNMT
SCHEMBL4304705 0.78 KDM4E (0.55) KDM4EALDH1A1ALOX15HSD17B10SMN1; SMN2
SCHEMBL29337499 0.78 ALDH1A1 (0.55) KDM4EALDH1A1ALOX15HSD17B10HPGD
Hydrochloric Acid SCHEMBL22042710 0.77 ALDH1A1 (0.53) KDM4EALDH1A1ALOX15HSD17B10HPGD
SCHEMBL669121 0.77 NNMT (0.52) KDM4EHSD17B10NNMTSMN1; SMN2POLB
SCHEMBL3407188 0.76 NNMT (0.56) KDM4EHSD17B10NNMTSMN1; SMN2POLB
SCHEMBL4315212 0.75 ALDH1A1 (0.52) KDM4EALDH1A1ALOX15HSD17B10SMN1; SMN2

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 4 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
EP-1937682-A1 MET KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2008-07-02 EP disclosed
WO-2007041379-A1 MET KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-12 WO disclosed