SCHEMBL30143868

SCHEMBL30143868

C=CCCn1cc(-c2cc(C(=O)OC)cc3c2ncn3C)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 9/20 0.46
▸ CECR2 Q9BXF3 5/20 0.46
▸ TAF1 P21675 4/20 0.46
▸ BRD9 Q9H8M2 4/20 0.46
▸ TAF11 Q15544 1/20 0.46
▸ TAF1L Q8IZX4 1/20 0.46
▸ TRIM24 O15164 1/20 0.34
▸ TRIM33 Q9UPN9 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ LMNA P02545 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ PIK3C3 Q8NEB9 1/20 0.32
▸ PDE4A P27815 2/20 0.32
▸ PDE4B Q07343 2/20 0.32
▸ PDE4C Q08493 2/20 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
SCHEMBL17758552 1.00 BRD4 (0.46) BRD4CECR2TAF1BRD9TAF11
SCHEMBL19640305 0.86 CECR2 (0.51) BRD4CECR2TAF1BRD9TAF11
SCHEMBL30143869 0.86 CECR2 (0.51) BRD4CECR2TAF1BRD9TAF11
SCHEMBL30073362 0.85 CECR2 (0.46) BRD4CECR2TAF1BRD9TAF11
SCHEMBL19657342 0.83 CECR2 (0.50) BRD4CECR2TAF1BRD9TAF11
SCHEMBL30073337 0.72 CECR2 (0.51) BRD4CECR2TAF1BRD9TAF11
SCHEMBL17749850 0.71 BRD4 (0.41) BRD4ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL17755641 0.71 BRD4 (0.52) BRD4TRIM24TRIM33MAPK1
SCHEMBL19639691 0.70 ALDH1A1 (0.48) BRD4ALDH1A1HPGDLMNAMEN1
SCHEMBL17758497 0.70 CECR2 (0.57) BRD4CECR2TAF1BRD9TAF11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116003409-A Substituted pyrrolopyridines as bromodomain inhibitors 基因泰克公司 2023-04-25 — — CN disclosed
CN-107207493-B Substituted pyrrolopyridines as bromodomain inhibitors 基因泰克公司 2023-01-20 — — CN disclosed
Send feedback