SCHEMBL25512533

SCHEMBL25512533

CC(C)c1ccn2c(=O)n(C3CC3)nc2c1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GPR139 Q6DWJ6 4/20 0.33
▸ MAPT P10636 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ JAK2 O60674 1/20 0.30

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
SCHEMBL25512531 0.79 GPR139 (0.37) GPR139MAPT
SCHEMBL25199276 0.78 AHR (0.33) —
SCHEMBL25512535 0.74 GPR139 (0.44) GPR139
SCHEMBL24820619 0.70 KCNH2 (0.38) GPR139MAPTKCNH2
SCHEMBL25512534 0.69 GPR139 (0.42) GPR139
SCHEMBL24819773 0.68 KCNH2 (0.39) GPR139KCNH2
SCHEMBL19879926 0.67 HSD11B1 (0.39) MAPTL3MBTL1KCNH2
SCHEMBL21025997 0.65 TDP1 (0.43) MAPTJAK2
SCHEMBL15341830 0.62 DNMT1 (0.40) —
SCHEMBL22358063 0.62 PIK3CD (0.36) KCNH2

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
WO-2023088425-A1 15-PGDH INHIBITOR AND USE THEREOF 武汉人福创新药物研发中心有限公司 2023-05-25 — — WO disclosed
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