SCHEMBL30031279

SCHEMBL30031279

COc1ccc(Cn2c3c(cc(C(=O)O)c2=O)C(C(C)(C)C)Cc2c-3nc3c(C(F)F)cccn23)c(OC)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 2/20 0.37
▸ TP53 P04637 2/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ AADAT Q8N5Z0 2/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ POLB P06746 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ KDM4C Q9H3R0 1/20 0.32
▸ EDNRB P24530 1/20 0.32

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
SCHEMBL30031815 0.94 TP53 (0.36) CMA1TP53RXFP1AADATMEN1
SCHEMBL30031766 0.90 MEN1 (0.42) CMA1TP53RXFP1AADATMEN1
SCHEMBL30032108 0.87 AADAT (0.36) TP53RXFP1AADATMEN1KMT2A
SCHEMBL30032607 0.86 ALDH1A1 (0.37) CMA1TP53AADATMEN1KMT2A
SCHEMBL30031425 0.85 AADAT (0.34) CMA1TP53AADATMEN1KMT2A
SCHEMBL30031821 0.85 AADAT (0.34) CMA1TP53AADATMEN1KMT2A
SCHEMBL30032351 0.85 AADAT (0.34) CMA1TP53AADATMEN1KMT2A
SCHEMBL30031819 0.85 AADAT (0.34) CMA1TP53AADATMEN1KMT2A
SCHEMBL30032175 0.85 AADAT (0.34) CMA1TP53AADATMEN1KMT2A
SCHEMBL30031902 0.84 MEN1 (0.40) CMA1TP53RXFP1AADATMEN1

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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