SCHEMBL19405013

SCHEMBL19405013

Cn1c(=O)[nH]c2cc(Cl)c(N3C(=O)c4cccc5c(Cl)ccc(c45)C3=O)cc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAF1 P21675 8/20 0.61
▸ BRD1 O95696 8/20 0.61
▸ BRPF1 P55201 8/20 0.61
▸ KDM4E B2RXH2 3/20 0.59
▸ ALDH1A1 P00352 3/20 0.59
▸ HPGD P15428 1/20 0.59
▸ KMT2A Q03164 3/20 0.51
▸ LMNA P02545 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ ERCC1 P07992 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ FEN1 P39748 1/20 0.46
▸ ERCC4 Q92889 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ BRD4 O60885 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL19404591 0.91 BRD1 (0.71) TAF1BRD1BRPF1KDM4EALDH1A1
SCHEMBL19404507 0.90 TAF1 (0.58) TAF1BRD1BRPF1KDM4EALDH1A1
SCHEMBL19404590 0.89 TAF1 (0.57) TAF1BRD1BRPF1KDM4EALDH1A1
SCHEMBL19404424 0.87 MEN1 (0.54) TAF1BRD1BRPF1KMT2ALMNA
SCHEMBL19405012 0.84 KDM4E (0.59) TAF1BRD1BRPF1KDM4EALDH1A1
SCHEMBL19405016 0.82 BRD1 (0.82) TAF1BRD1BRPF1KDM4EALDH1A1
SCHEMBL19404427 0.81 BRD1 (0.59) TAF1BRD1BRPF1KMT2ALMNA
SCHEMBL19404528 0.78 BRD1 (0.71) TAF1BRD1BRPF1LMNABRD4
SCHEMBL19405020 0.78 BRD1 (0.61) TAF1BRD1BRPF1KDM4EKMT2A
SCHEMBL16213400 0.76 KDM4E (1.00) TAF1BRD1BRPF1KDM4EALDH1A1

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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