SCHEMBL29255261

SCHEMBL29255261

COC(=O)Cc1ccnc(-c2ccc(Oc3ncc(Cl)cc3F)c(F)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.39
LTA4H P09960 8/20 0.37
KCNH2 Q12809 4/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGER4 P35408 1/20 0.37
ACACB O00763 2/20 0.36
MET P08581 1/20 0.35
PPARG P37231 1/20 0.35
LMNA P02545 1/20 0.35
SHMT1 P34896 1/20 0.34
SHMT2 P34897 1/20 0.34

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
SCHEMBL29254800 0.90 LTA4H (0.42) SCN9ALTA4HKCNH2PTGER4MET
SCHEMBL31086532 0.90 LTA4H (0.42) SCN9ALTA4HKCNH2PTGER4MET
SCHEMBL29255373 0.87 NCOA1 (0.35) SCN9ALTA4HKCNH2MEN1MAPT
SCHEMBL31086367 0.87 NCOA1 (0.35) SCN9ALTA4HKCNH2MEN1MAPT
SCHEMBL29255223 0.82 PPARG (0.42) LTA4HKCNH2MEN1MAPTKMT2A
SCHEMBL29254756 0.81 LMNA (0.42) SCN9ALTA4HKCNH2MEN1MAPT
SCHEMBL29255043 0.80 LTA4H (0.46) LTA4HKCNH2MAPTPPARGLMNA
SCHEMBL29254835 0.80 LTA4H (0.41) SCN9ALTA4HKCNH2MAPTACACB
SCHEMBL29254797 0.79 SCN9A (0.38) SCN9ALTA4HKCNH2PTGER4MET
SCHEMBL29255225 0.79 MIF (0.46) MEN1MAPTKMT2ALMNA

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