SCHEMBL23319684

SCHEMBL23319684

C=Cc1ncc(-c2cccc(C)c2)cc1C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 2/20 0.44
▸ TP53 P04637 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ IDO1 P14902 1/20 0.41
▸ METAP2 P50579 1/20 0.41
▸ EGLN1 Q9GZT9 1/20 0.39
▸ NPY5R Q15761 1/20 0.38
▸ GRIN2B Q13224 3/20 0.38
▸ GRIN1 Q05586 2/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KIT P10721 1/20 0.36
▸ PSMB5 P28074 1/20 0.36
▸ GAK O14976 1/20 0.36

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
SCHEMBL24011937 0.86 PDGFRB (0.43) MAP4K4IDO1
SCHEMBL21613490 0.85 PSMB5 (0.46) MAP4K4TDP1RAB9APSMB5
SCHEMBL24011728 0.84 ESR2 (0.47) MAP4K4IDO1RAB9A
SCHEMBL21613461 0.83 MAP4K4 (0.43) MAP4K4IDO1METAP2EGLN1NPY5R
SCHEMBL21613439 0.81 MAP4K4 (0.42) MAP4K4IDO1METAP2EGLN1NPY5R
SCHEMBL20171251 0.75 EGLN1 (0.51) IDO1METAP2EGLN1GRIN2BGRIN1
SCHEMBL23280655 0.74 PRMT5 (0.34) MAP4K4GRIN2BGRIN1
SCHEMBL17408894 0.74 GRIN2B (0.40) TDP1GRIN2B
SCHEMBL23319270 0.73 EGLN1 (0.46) MAP4K4EGLN1GRIN2BGRIN1
SCHEMBL7245034 0.73 NOS3 (0.46) TP53TDP1

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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