SCHEMBL30970533

SCHEMBL30970533

[2H]C([2H])(NC(=O)c1cc2c(c(C(F)(F)F)c1)-c1nn(C[C@H]3COCCO3)cc1CC2)[C@@H]1CCCO1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 1/20 0.34
▸ HPGD P15428 5/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ PTK2 Q05397 4/20 0.33
▸ IGF1R P08069 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ GAA P10253 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ CNR2 P34972 1/20 0.31

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
SCHEMBL30970529 0.84 TP53 (0.35) HPGDLMNATP53MAPTGAA
SCHEMBL30970541 0.81 HPGD (0.44) HPGDKMT2AMEN1IGF1RL3MBTL1
SCHEMBL23553375 0.76 MAPT (0.40) HPGDKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL30970523 0.73 TP53 (0.34) HPGDLMNATP53MAPTGAA
SCHEMBL23552964 0.71 LMNA (0.49) LMNATP53MAPT
SCHEMBL23552969 0.71 LMNA (0.49) LMNATP53MAPT
SCHEMBL23553851 0.71 MAPT (0.43) LMNATP53MAPT
SCHEMBL23530643 0.71 MAPT (0.43) LMNATP53MAPT
SCHEMBL29674361 0.71 MAPT (0.43) LMNATP53MAPT
SCHEMBL29674376 0.71 MAPT (0.43) LMNATP53MAPT

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-2024140968-A1 TRICYCLIC COMPOUND, AND PREPARATION METHOD AND USE THEREFOR 广州市联瑞制药有限公司 2024-07-04 — — WO disclosed
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