SCHEMBL30143871

SCHEMBL30143871

C=CCCn1cc(C2=CCC(C)C=C2)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2c1=O

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 6/20 0.40
▸ VEGFA P15692 2/20 0.33
▸ EGLN1 Q9GZT9 2/20 0.33
▸ HTR6 P50406 1/20 0.32

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
SCHEMBL30143872 0.85 BRD4 (0.41) BRD4VEGFAEGLN1HTR6
SCHEMBL17749850 0.77 BRD4 (0.41) BRD4VEGFAEGLN1HTR6
SCHEMBL30143873 0.73 CECR2 (0.50) BRD4
SCHEMBL17749753 0.71 BRD4 (0.37) BRD4VEGFAEGLN1HTR6
SCHEMBL17758552 0.68 BRD4 (0.46) BRD4
SCHEMBL30143868 0.68 BRD4 (0.46) BRD4
SCHEMBL30143869 0.67 CECR2 (0.51) BRD4
SCHEMBL19640305 0.67 CECR2 (0.51) BRD4
SCHEMBL17758546 0.67 CA1 (0.42) BRD4VEGFAEGLN1HTR6
SCHEMBL23296065 0.67 BRD4 (0.52) BRD4VEGFAEGLN1HTR6

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-107207493-B Substituted pyrrolopyridines as bromodomain inhibitors 基因泰克公司 2023-01-20 — — CN disclosed
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