SCHEMBL23319270

SCHEMBL23319270

C=C(C)c1ncc(-c2cccc(C)c2)cc1C

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 1/20 0.46
▸ MAP4K4 O95819 1/20 0.43
▸ GRIN2B Q13224 16/20 0.43
▸ GRIN1 Q05586 4/20 0.41
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 1/20 0.38

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
SCHEMBL23280596 0.85 PSMB5 (0.45) EGLN1MAP4K4GRIN2B
SCHEMBL24011925 0.85 MAP4K4 (0.63) MAP4K4
SCHEMBL24011721 0.85 MAP4K4 (0.41) EGLN1MAP4K4GRIN2B
SCHEMBL23319691 0.85 ESR2 (0.50) EGLN1MAP4K4GRIN2BGRIN1
SCHEMBL23319236 0.83 EGLN1 (0.49) EGLN1MAP4K4GRIN2BGRIN1
SCHEMBL21613480 0.83 EGLN1 (0.45) EGLN1MAP4K4GRIN2BGRIN1
SCHEMBL23319662 0.82 EGLN1 (0.43) EGLN1GRIN2BGRIN1
SCHEMBL21613655 0.82 EGLN1 (0.44) EGLN1MAP4K4GRIN2BGRIN1
SCHEMBL21613470 0.79 EGLN1 (0.44) EGLN1MAP4K4GRIN2BGRIN1
SCHEMBL21613508 0.79 EGLN1 (0.44) EGLN1MAP4K4GRIN2BGRIN1

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-2021087144-A1 THERAPEUTIC METHODS USING VADADUSTAT AKEBIA THERAPEUTICS, INC. (US) 2021-05-06 — — WO disclosed
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