SCHEMBL29255181

SCHEMBL29255181

NC1CN(Cc2nnn(-c3ccc(Oc4ncc(Cl)cc4F)cc3)n2)CC1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.47
KCNH2 Q12809 5/20 0.47
BTK Q06187 9/20 0.38
EGFR P00533 5/20 0.37
S1PR5 Q9H228 1/20 0.36
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 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
SCHEMBL29255111 0.92 LTA4H (0.47) LTA4HKCNH2BTKS1PR5
SCHEMBL31086357 0.87 LTA4H (0.45) LTA4HKCNH2BTKEGFRS1PR5
SCHEMBL29255153 0.84 LTA4H (0.44) LTA4HKCNH2BTKEGFR
SCHEMBL31086390 0.84 LTA4H (0.42) LTA4HKCNH2BTKEGFR
SCHEMBL29254750 0.84 LTA4H (0.42) LTA4HKCNH2BTKEGFR
SCHEMBL31086539 0.84 LTA4H (0.42) LTA4HKCNH2BTKEGFR
SCHEMBL29254754 0.84 LTA4H (0.42) LTA4HKCNH2BTKEGFR
SCHEMBL31086419 0.79 LTA4H (0.56) LTA4HKCNH2BTK
SCHEMBL29254876 0.79 LTA4H (0.56) LTA4HKCNH2BTK
SCHEMBL29254976 0.79 LTA4H (0.40) LTA4HKCNH2BTKEGFR

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