SCHEMBL29804281

SCHEMBL29804281

COc1cc(C#N)ccc1Oc1ncc(C2CCOCC2)cc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.41
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.40
MALT1 Q9UDY8 2/20 0.38
AR P10275 3/20 0.38
EGLN1 Q9GZT9 1/20 0.38
DHODH Q02127 1/20 0.38
KDM1A O60341 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
PDE4B Q07343 1/20 0.36
CHEK1 O14757 1/20 0.36
AXL P30530 1/20 0.36
MERTK Q12866 1/20 0.36
IL2 P60568 1/20 0.36
MAP4K1 Q92918 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 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
SCHEMBL24684257 1.00 XDH (0.41) XDHUSP2MAPTMALT1AR
SCHEMBL24684276 0.91 MALT1 (0.40) USP2MAPTMALT1AREGLN1
SCHEMBL29804167 0.91 MALT1 (0.40) USP2MAPTMALT1AREGLN1
SCHEMBL29804143 0.81 MAPT (0.44) MAPTMALT1PDE4BAXLMERTK
SCHEMBL24684269 0.81 MAPT (0.44) MAPTMALT1PDE4BAXLMERTK
SCHEMBL29109937 0.81 LMNA (0.45) AXLMERTK
SCHEMBL24684261 0.80 ALDH1A1 (0.43) MALT1AXLMERTK
SCHEMBL29804499 0.80 ALDH1A1 (0.43) MALT1AXLMERTK
SCHEMBL23356422 0.77 DHODH (0.47) DHODH
SCHEMBL24682595 0.76 AR (0.43) ARPTGDR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4304585-A2 METHYL-SUBSTITUTED PYRIDINE AND PYRIDAZINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE Latigo Biotherapeutics, Inc. (US) 2024-01-17 EP disclosed
CN-117062607-A Methyl substituted pyridine and pyridazine compounds, derivatives thereof and methods of use thereof 拉堤果生物医疗股份有限公司 2023-11-14 CN disclosed
WO-2022192487-A2 METHYL-SUBSTITUTED PYRIDINE AND PYRIDAZINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE LATIGO BIOTHERAPEUTICS, INC. (US) 2022-09-15 WO disclosed