SCHEMBL30031262

SCHEMBL30031262

COC(=O)c1cc2c(n(Cc3ccc(OC)cc3OC)c1=O)-c1nc3c(OC(F)F)c(OC)ccn3c1CC2C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AADAT Q8N5Z0 2/20 0.34
▸ TACR1 P25103 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ TP53 P04637 2/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ BTK Q06187 1/20 0.31
▸ GHSR Q92847 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ EGLN1 Q9GZT9 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ PDE9A O76083 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
SCHEMBL30032108 0.94 AADAT (0.36) AADATTACR1MAPTTP53RXFP1
SCHEMBL30032226 0.89 AADAT (0.33) AADATTACR1MAPTTP53RXFP1
SCHEMBL30031253 0.89 AADAT (0.33) AADATTACR1MAPTTP53RXFP1
SCHEMBL30032122 0.89 AADAT (0.33) AADATTACR1MAPTTP53RXFP1
SCHEMBL30031487 0.89 AADAT (0.33) AADATTACR1MAPTTP53RXFP1
SCHEMBL30031916 0.89 AADAT (0.33) AADATTACR1MAPTTP53RXFP1
SCHEMBL30030872 0.87 MAPT (0.34) AADATTACR1MAPTTP53RXFP1
SCHEMBL30031815 0.87 TP53 (0.36) AADATMAPTTP53RXFP1BTK
SCHEMBL30031479 0.85 AADAT (0.35) AADATMAPTTP53RXFP1KDM4E
SCHEMBL30031902 0.85 MEN1 (0.40) AADATMAPTTP53RXFP1KDM4E

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-2022214937-A1 SUBSTITUTED TETRACYCLIC CARBOXYLIC ACIDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2022-10-13 — — WO disclosed
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