SCHEMBL30032609

SCHEMBL30032609

COc1cc(C(F)(F)F)c2nc3c(n2c1)C[C@@H](C(C)(C)C)c1cc(C(=O)O)c(=O)[nH]c1-3

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.31
▸ HSD17B10 Q99714 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
SCHEMBL30032232 1.00 KDM4E (0.33) KDM4EALDH1A1POLBGAAEGLN1
SCHEMBL30031847 1.00 KDM4E (0.33) KDM4EALDH1A1POLBGAAEGLN1
SCHEMBL30030855 0.89 KDM4E (0.34) KDM4EALDH1A1POLBGAA
SCHEMBL30030923 0.88 KMT2A (0.33) EGLN1
SCHEMBL30031347 0.88 KMT2A (0.33) EGLN1
SCHEMBL30032007 0.88 KMT2A (0.33) EGLN1
SCHEMBL30031250 0.87 TLR9 (0.30) —
SCHEMBL30033116 0.87 TLR9 (0.30) —
SCHEMBL30032479 0.87 TLR9 (0.30) —
SCHEMBL30031721 0.86 KDM4E (0.32) KDM4EALDH1A1POLBGAA

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