SCHEMBL29255289

SCHEMBL29255289

COC(=O)Cc1nn(-c2ccc(Oc3ncc(Cl)cc3F)c(F)c2)nc1C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.37
KCNH2 Q12809 4/20 0.37
SCN9A Q15858 3/20 0.37
PKM P14618 2/20 0.36
LMNA P02545 2/20 0.36
GRIN2B Q13224 1/20 0.34
PPARG P37231 1/20 0.33
RXRB P28702 1/20 0.33
PTGER4 P35408 1/20 0.33
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 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
SCHEMBL31086379 0.88 LMNA (0.37) LTA4HKCNH2SCN9APKMLMNA
SCHEMBL29254874 0.88 LMNA (0.37) LTA4HKCNH2SCN9APKMLMNA
SCHEMBL29254832 0.82 LTA4H (0.40) LTA4HKCNH2SCN9APKMLMNA
Hydrochloric Acid SCHEMBL29254913 0.81 LTA4H (0.49) LTA4HKCNH2SCN9APKMPPARG
SCHEMBL29254867 0.78 LMNA (0.46) PKMLMNA
SCHEMBL29255201 0.77 PKM (0.39) PKMLMNA
SCHEMBL29255386 0.73 LTA4H (0.47) LTA4HKCNH2LMNAPPARGPTGER4
SCHEMBL29255261 0.70 SCN9A (0.39) LTA4HKCNH2SCN9ALMNAPPARG
SCHEMBL31086242 0.70 DRD2 (0.39) SCN9ALMNAGRIN2B
SCHEMBL31086352 0.70 RXRA (0.44) GRIN2B

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
CN-118307534-A LTA4H inhibitors and uses thereof 上海海雁医药科技有限公司 2024-07-09 CN disclosed