SCHEMBL30970529

SCHEMBL30970529

COC(=O)c1cc2c(c(C(F)(F)F)c1)-c1nn(C[C@H]3COCCO3)cc1CC2

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 5/20 0.35
▸ MAPT P10636 5/20 0.35
▸ LMNA P02545 3/20 0.35
▸ SHMT2 P34897 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ THRB P10828 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.31
▸ P2RX3 P56373 2/20 0.31
▸ P2RX2 Q9UBL9 2/20 0.31
▸ GPR84 Q9NQS5 1/20 0.31
▸ NOTUM Q6P988 1/20 0.31
▸ RBP4 P02753 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
SCHEMBL30970523 0.86 TP53 (0.34) TP53MAPTLMNASHMT2KDM4E
SCHEMBL31051691 0.84 SHMT2 (0.37) TP53MAPTLMNASHMT2ALDH1A1
SCHEMBL30970533 0.84 WDR5 (0.34) TP53MAPTLMNAKDM4EALDH1A1
SCHEMBL31051694 0.77 ALDH1A1 (0.38) ALDH1A1MMP13GPR84
SCHEMBL31521635 0.76 LMNA (0.32) TP53MAPTLMNA
SCHEMBL31521631 0.76 LMNA (0.32) TP53MAPTLMNA
SCHEMBL23552925 0.75 MAPT (0.51) TP53MAPTLMNASHMT2THRB
SCHEMBL23530967 0.75 MAPT (0.51) TP53MAPTLMNASHMT2THRB
SCHEMBL23530533 0.75 MAPT (0.51) TP53MAPTLMNASHMT2THRB
SCHEMBL23530585 0.74 SHMT2 (0.44) TP53MAPTLMNASHMT2THRB

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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