SCHEMBL22827342

SCHEMBL22827342

Cn1cc(-c2ccccc2Cl)c2cc(C(=O)NCc3ccc(C(=O)Nc4ccccc4N)cc3)[nH]c2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 20/20 1.00
▸ HDAC1 Q13547 19/20 1.00

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
SCHEMBL22826860 0.92 BRD4 (1.00) BRD4HDAC1
SCHEMBL22827339 0.91 BRD4 (1.00) BRD4HDAC1
SCHEMBL22826911 0.90 BRD4 (0.84) BRD4HDAC1
SCHEMBL22827100 0.90 BRD4 (1.00) BRD4HDAC1
SCHEMBL22827378 0.89 BRD4 (0.81) BRD4HDAC1
SCHEMBL22826909 0.89 BRD4 (0.83) BRD4HDAC1
SCHEMBL22826865 0.89 BRD4 (1.00) BRD4HDAC1
SCHEMBL22827053 0.88 BRD4 (1.00) BRD4HDAC1
SCHEMBL22826914 0.88 BRD4 (1.00) BRD4HDAC1
SCHEMBL22827306 0.88 BRD4 (0.78) BRD4HDAC1

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-2020253711-A1 PYRROLOPYRIDONE COMPOUND, PREPARATION METHOD THEREFOR, AND COMPOSITION AND USE THEREOF 中国科学院上海药物研究所 2020-12-24 — — WO disclosed
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