SCHEMBL30143872

SCHEMBL30143872

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 6/20 0.41
▸ HTR6 P50406 2/20 0.33
▸ VEGFA P15692 2/20 0.31
▸ EGLN1 Q9GZT9 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CA1 P00915 2/20 0.30
▸ CA2 P00918 2/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ UBE2N P61088 1/20 0.30

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
SCHEMBL30143871 0.85 BRD4 (0.40) BRD4HTR6VEGFAEGLN1
SCHEMBL17749850 0.79 BRD4 (0.41) BRD4HTR6VEGFAEGLN1ALDH1A1
SCHEMBL17749753 0.73 BRD4 (0.37) BRD4HTR6VEGFAEGLN1ALDH1A1
SCHEMBL17758552 0.70 BRD4 (0.46) BRD4ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL30143868 0.70 BRD4 (0.46) BRD4ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL19640305 0.69 CECR2 (0.51) BRD4ALDH1A1
SCHEMBL30143869 0.69 CECR2 (0.51) BRD4ALDH1A1
SCHEMBL17758546 0.69 CA1 (0.42) BRD4HTR6VEGFAEGLN1ALDH1A1
SCHEMBL23296065 0.68 BRD4 (0.52) BRD4HTR6VEGFAEGLN1CA1
SCHEMBL17756344 0.67 CA1 (0.43) BRD4HTR6VEGFAEGLN1CA1

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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