SCHEMBL29255018

SCHEMBL29255018

CCOC(=O)CC(=O)Cc1cn(-c2ccc(Oc3ncc(Cl)cc3F)cc2)nn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.42
GRIN1 Q05586 6/20 0.42
GRIN2B Q13224 6/20 0.42
LTA4H P09960 7/20 0.41
KCNH2 Q12809 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41
NOTUM Q6P988 1/20 0.40
P2RX7 Q99572 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL31086398 1.00 RXRA (0.42) RXRAGRIN1GRIN2BLTA4HKCNH2
SCHEMBL29255165 0.91 RXRA (0.44) RXRAGRIN1GRIN2B
SCHEMBL31086352 0.91 RXRA (0.44) RXRAGRIN1GRIN2B
SCHEMBL29254761 0.90 RXRA (0.39) RXRAGRIN1GRIN2BLTA4HKCNH2
SCHEMBL31086301 0.90 RXRA (0.39) RXRAGRIN1GRIN2BLTA4HKCNH2
SCHEMBL31086476 0.85 DRD2 (0.42) LTA4HKCNH2CYP1A2CYP2C9CYP3A4
SCHEMBL29254780 0.85 DRD2 (0.42) LTA4HKCNH2CYP1A2CYP2C9CYP3A4
SCHEMBL31086415 0.85 LTA4H (0.44) RXRAGRIN1GRIN2BLTA4HKCNH2
SCHEMBL29254980 0.85 LTA4H (0.44) RXRAGRIN1GRIN2BLTA4HKCNH2
SCHEMBL31086351 0.84 LTA4H (0.51) RXRAGRIN1GRIN2BLTA4HKCNH2

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