SCHEMBL19404622

SCHEMBL19404622

Cn1c(=O)n(C)c2cc(N3C(=O)c4cccc5c(N6CCCC6)ccc(c45)C3=O)ccc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD1 O95696 13/20 0.73
▸ BRPF1 P55201 12/20 0.73
▸ BRD4 O60885 2/20 0.73
▸ TAF1 P21675 11/20 0.72
▸ MEN1 O00255 7/20 0.62
▸ KMT2A Q03164 7/20 0.62
▸ HTT P42858 4/20 0.62
▸ USP2 O75604 3/20 0.62
▸ L3MBTL1 Q9Y468 3/20 0.62
▸ ALDH1A1 P00352 3/20 0.62
▸ TLR9 Q9NR96 2/20 0.62
▸ TNNI3 P19429 1/20 0.62
▸ TNNT2 P45379 1/20 0.62
▸ TNNC1 P63316 1/20 0.62
▸ LMNA P02545 2/20 0.61
▸ POLB P06746 1/20 0.61
▸ RAB9A P51151 2/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ MAPT P10636 4/20 0.53
▸ TSHR P16473 2/20 0.52

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
SCHEMBL19404448 0.99 BRD1 (0.74) BRD1BRPF1BRD4TAF1MEN1
SCHEMBL19405026 0.94 BRD1 (0.74) BRD1BRPF1BRD4TAF1MEN1
SCHEMBL19404518 0.92 BRD1 (0.75) BRD1BRPF1BRD4TAF1MEN1
SCHEMBL19404445 0.90 BRD1 (0.76) BRD1BRPF1BRD4TAF1MEN1
SCHEMBL19404519 0.86 BRD1 (0.77) BRD1BRPF1BRD4TAF1MEN1
SCHEMBL19404601 0.86 BRD1 (0.77) BRD1BRPF1BRD4TAF1MEN1
SCHEMBL19384701 0.86 BRD1 (0.68) BRD1BRPF1BRD4TAF1MEN1
SCHEMBL19405029 0.86 BRD1 (0.56) BRD1BRPF1BRD4TAF1MEN1
SCHEMBL19404477 0.86 BRD1 (0.68) BRD1BRPF1BRD4TAF1MEN1
SCHEMBL19405037 0.84 BRD1 (1.00) BRD1BRPF1BRD4TAF1MEN1

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-2017162661-A1 1H-BENZO[DE]ISOQUINOLINE-1,3(2H)-DIONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 — — WO disclosed
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