SCHEMBL19404431

SCHEMBL19404431

Cn1c(=O)[nH]c2ccc(N3C(=O)c4cccc5c(N)ccc(c45)C3=O)cc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 10/20 0.59
▸ KMT2A Q03164 10/20 0.59
▸ MEN1 O00255 9/20 0.59
▸ KEAP1 Q14145 7/20 0.59
▸ NFE2L2 Q16236 7/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ ATM Q13315 2/20 0.59
▸ TAF1 P21675 1/20 0.56
▸ MAPT P10636 6/20 0.55
▸ KDM4E B2RXH2 4/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ HTT P42858 3/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ RECQL P46063 4/20 0.47
▸ RGS12 O14924 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ CYP1B1 Q16678 1/20 0.46
▸ BRD1 O95696 1/20 0.46
▸ TLR9 Q9NR96 1/20 0.45
▸ RAB9A P51151 1/20 0.44

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
SCHEMBL19405012 0.87 KDM4E (0.59) USP2KMT2AMEN1KEAP1NFE2L2
SCHEMBL19405004 0.87 TAF1 (0.56) USP2KMT2AMEN1KEAP1NFE2L2
SCHEMBL19404618 0.85 MEN1 (0.60) USP2KMT2AMEN1KEAP1NFE2L2
SCHEMBL19404790 0.84 ALDH1A1 (0.60) USP2KMT2AMEN1KEAP1NFE2L2
SCHEMBL19404589 0.83 BRD1 (0.64) KMT2AMEN1L3MBTL1TAF1MAPT
SCHEMBL19404433 0.81 BRD1 (0.69) USP2KMT2AMEN1KEAP1NFE2L2
SCHEMBL19405025 0.81 BRD1 (0.58) USP2KMT2AMEN1KEAP1NFE2L2
SCHEMBL19404627 0.81 TAF1 (0.86) USP2KMT2AMEN1KEAP1NFE2L2
SCHEMBL19404444 0.81 TAF1 (0.55) USP2KMT2AMEN1KEAP1NFE2L2
SCHEMBL19404469 0.80 TAF1 (0.57) USP2KMT2AMEN1KEAP1NFE2L2

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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