SCHEMBL29127752

SCHEMBL29127752

COc1cc(-c2cc3c(cn2)CCCC3)c(F)c(OC)c1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 7/20 0.34
▸ FGFR1 P11362 6/20 0.34
▸ FGFR2 P21802 2/20 0.34
▸ ALOX5AP P20292 5/20 0.33
▸ FEN1 P39748 5/20 0.33
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ FGFR3 P22607 1/20 0.32
▸ IDO1 P14902 1/20 0.31
▸ TDO2 P48775 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ HPGD P15428 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
SCHEMBL30676959 1.00 FGFR4 (0.34) FGFR4FGFR1FGFR2ALOX5APFEN1
SCHEMBL30676957 0.93 FGFR4 (0.34) FGFR4FGFR1FGFR2NOS3NOS1
SCHEMBL31010854 0.78 NPC1 (0.47) ALOX5APFEN1MAPTIDO1TDO2
SCHEMBL29127755 0.77 NOS3 (0.34) NOS3NOS1NOS2
SCHEMBL30676939 0.77 NOS3 (0.34) NOS3NOS1NOS2
SCHEMBL29127756 0.76 NOS3 (0.33) ALOX5APFEN1NOS3NOS1NOS2
SCHEMBL30676942 0.76 NOS3 (0.33) ALOX5APFEN1NOS3NOS1NOS2
SCHEMBL31010852 0.72 MAPT (0.45) ALOX5APFEN1KDM4EMEN1MAPT
SCHEMBL30676850 0.69 KDM1A (0.35) NOS3NOS1NOS2IDO1TDO2
SCHEMBL12136645 0.68 CYP11B2 (0.35) ALOX5APFEN1NOS3NOS1NOS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117229208-B Condensed ring compound, preparation method and medical application thereof 上海泽德曼医药科技有限公司 2024-02-23 — — CN disclosed
CN-117229208-A Condensed ring compound, preparation method and medical application thereof 上海泽德曼医药科技有限公司 2023-12-15 — — CN disclosed
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