SCHEMBL19404839

SCHEMBL19404839

CCCCCC#Cc1ccc2c3c(cccc13)C(=O)N(c1cc3[nH]c(=O)[nH]c3cc1C)C2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD1 O95696 15/20 0.41
▸ BRPF1 P55201 15/20 0.41
▸ TAF1 P21675 14/20 0.41
▸ TAF1L Q8IZX4 1/20 0.39
▸ CREBBP Q92793 1/20 0.39
▸ CECR2 Q9BXF3 1/20 0.39
▸ BRPF3 Q9ULD4 1/20 0.39
▸ BRD4 O60885 3/20 0.38
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ CASP6 P55212 1/20 0.35
▸ TLR9 Q9NR96 1/20 0.35
▸ MAPK1 P28482 2/20 0.34
▸ S1PR2 O95136 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ USP2 O75604 2/20 0.34
▸ MAPT P10636 2/20 0.34

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
SCHEMBL19404842 0.83 BRD1 (0.61) BRD1BRPF1TAF1TAF1LCREBBP
SCHEMBL19404853 0.80 BRD1 (0.41) BRD1BRPF1TAF1TAF1LCREBBP
SCHEMBL19404489 0.76 MEN1 (0.48) BRD1BRPF1TAF1TAF1LCREBBP
SCHEMBL19404851 0.76 BRD1 (0.65) BRD1BRPF1TAF1TAF1LCREBBP
SCHEMBL18069181 0.76 KMT2A (0.46) MEN1KMT2AL3MBTL1POLBTLR9
SCHEMBL19404605 0.74 TAF1 (0.49) BRD1BRPF1TAF1TAF1LCREBBP
SCHEMBL19405049 0.74 TAF1 (0.69) BRD1BRPF1TAF1TAF1LCREBBP
SCHEMBL18069180 0.73 KMT2A (0.48) BRD4MEN1KMT2AL3MBTL1POLB
SCHEMBL19405041 0.73 BRD1 (0.67) BRD1BRPF1TAF1BRD4MEN1
SCHEMBL19404840 0.72 BRD1 (0.46) BRD1BRPF1TAF1TAF1LCREBBP

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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