SCHEMBL29255111

SCHEMBL29255111

O=C(O)C1CN(Cc2nnn(-c3ccc(Oc4ncc(Cl)cc4F)cc3)n2)C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.47
KCNH2 Q12809 5/20 0.47
S1PR5 Q9H228 8/20 0.44
S1PR1 P21453 6/20 0.40
LTK P29376 1/20 0.39
TAOK1 Q7L7X3 1/20 0.39
HTR2A P28223 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
BTK Q06187 4/20 0.38
PRKX P51817 1/20 0.37
ACVR1 Q04771 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
SCHEMBL31086357 0.93 LTA4H (0.45) LTA4HKCNH2S1PR5BTK
SCHEMBL29255181 0.92 LTA4H (0.47) LTA4HKCNH2S1PR5BTK
SCHEMBL29255153 0.91 LTA4H (0.44) LTA4HKCNH2S1PR1BTK
SCHEMBL31086539 0.83 LTA4H (0.42) LTA4HKCNH2BTK
SCHEMBL29254750 0.83 LTA4H (0.42) LTA4HKCNH2BTK
SCHEMBL31086390 0.83 LTA4H (0.42) LTA4HKCNH2BTK
SCHEMBL29254754 0.83 LTA4H (0.42) LTA4HKCNH2BTK
SCHEMBL31086419 0.82 LTA4H (0.56) LTA4HKCNH2BTK
SCHEMBL29254876 0.82 LTA4H (0.56) LTA4HKCNH2BTK
SCHEMBL19439496 0.79 LTA4H (0.65) LTA4HKCNH2BTK

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