SCHEMBL28433644

SCHEMBL28433644

[CH2]c1ccc(Nc2ccc3c(c2)CCC(=O)N3)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 8/20 0.58
▸ BCL6 P41182 2/20 0.53
▸ BCOR Q6W2J9 2/20 0.53
▸ CRBN Q96SW2 1/20 0.46
▸ ALDH3A1 P30838 2/20 0.44
▸ TNIK Q9UKE5 1/20 0.42
▸ PKM P14618 4/20 0.42
▸ ULK1 O75385 1/20 0.40

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
SCHEMBL25875012 0.85 KIF11 (0.65) KIF11BCL6BCORCRBNPKM
SCHEMBL22159513 0.81 CRBN (0.68) KIF11BCL6BCORCRBN
SCHEMBL22159539 0.81 CRBN (0.53) KIF11BCL6BCORCRBNULK1
SCHEMBL5543910 0.74 NPC1 (0.55) KIF11CRBNPKM
SCHEMBL16208459 0.74 KIF11 (1.00) KIF11BCL6BCORCRBNPKM
SCHEMBL17545219 0.70 ULK1 (0.60) KIF11BCL6BCORULK1
SCHEMBL23249972 0.70 BCL6 (0.84) KIF11BCL6BCORCRBNPKM
SCHEMBL29874183 0.70 BCL6 (0.84) KIF11BCL6BCORCRBNPKM
SCHEMBL25875011 0.69 MAPK14 (0.59) KIF11CRBNTNIKULK1
SCHEMBL16208480 0.69 KIF11 (0.72) KIF11CRBNTNIKPKMULK1

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
CN-111278816-A Dihydroquinolinones C4医药公司 2020-06-12 — — CN disclosed
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