SCHEMBL19404433

SCHEMBL19404433

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD1 O95696 11/20 0.69
▸ USP2 O75604 7/20 0.64
▸ KMT2A Q03164 7/20 0.64
▸ KEAP1 Q14145 6/20 0.64
▸ NFE2L2 Q16236 6/20 0.64
▸ MEN1 O00255 6/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.64
▸ MAPT P10636 3/20 0.60
▸ HTT P42858 2/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ ATM Q13315 2/20 0.57
▸ BRPF1 P55201 10/20 0.51
▸ TAF1 P21675 10/20 0.51
▸ RGS12 O14924 2/20 0.50
▸ RECQL P46063 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ CYP1B1 Q16678 1/20 0.50
▸ BRD4 O60885 3/20 0.48

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
SCHEMBL19404498 0.85 BRD1 (0.69) BRD1USP2KMT2AKEAP1NFE2L2
SCHEMBL19405011 0.85 BRD1 (0.69) BRD1USP2KMT2AKEAP1NFE2L2
SCHEMBL19404624 0.83 BRD1 (0.66) BRD1USP2KMT2AKEAP1NFE2L2
SCHEMBL19404791 0.82 KDM4E (0.65) BRD1KMT2AMEN1L3MBTL1MAPT
SCHEMBL19404622 0.81 BRD1 (0.73) BRD1USP2KMT2AKEAP1NFE2L2
SCHEMBL19404603 0.81 BRD1 (0.63) BRD1USP2KMT2AKEAP1NFE2L2
SCHEMBL19404431 0.81 USP2 (0.59) BRD1USP2KMT2AKEAP1NFE2L2
SCHEMBL19404796 0.81 BRD1 (0.63) BRD1KMT2AMEN1L3MBTL1MAPT
SCHEMBL19404448 0.81 BRD1 (0.74) BRD1USP2KMT2AKEAP1NFE2L2
SCHEMBL19405026 0.80 BRD1 (0.74) BRD1USP2KMT2AKEAP1NFE2L2

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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