SCHEMBL19358745

SCHEMBL19358745

Cc1c(C(=O)O)cc(Br)c2cccnc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.62
▸ KMT2A Q03164 4/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ TP53 P04637 2/20 0.51
▸ HSP90AA1 P07900 2/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ USP2 O75604 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ L3MBTL1 Q9Y468 5/20 0.49
▸ KDM4A O75164 2/20 0.49
▸ EGLN1 Q9GZT9 2/20 0.49
▸ KDM6B O15054 1/20 0.49
▸ KDM6A O15550 1/20 0.49
▸ TET3 O43151 1/20 0.49
▸ KDM4B O94953 1/20 0.49
▸ KDM5C P41229 1/20 0.49
▸ KDM4D Q6B0I6 1/20 0.49
▸ TET2 Q6N021 1/20 0.49
▸ ALKBH5 Q6P6C2 1/20 0.49

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
SCHEMBL13943233 0.88 KDM4E (0.51) KDM4EKMT2AMEN1TP53HSP90AA1
SCHEMBL22367842 0.85 KDM4E (0.62) KDM4EKMT2AMEN1TP53HSP90AA1
SCHEMBL12072279 0.84 KDM4E (0.55) KDM4EKMT2AMEN1TP53HSP90AA1
SCHEMBL2143785 0.83 KDM4E (0.78) KDM4EKMT2AMEN1TP53HSP90AA1
SCHEMBL13858129 0.82 KDM4E (0.62) KDM4EKMT2AMEN1TP53HSP90AA1
SCHEMBL13255537 0.81 KDM4E (0.58) KDM4EKMT2AMEN1TP53HSP90AA1
SCHEMBL14212918 0.79 KDM4E (0.62) KDM4EKMT2AMEN1TP53HSP90AA1
SCHEMBL1126280 0.78 KMT2A (0.62) KDM4EKMT2AMEN1TP53HSP90AA1
SCHEMBL23954445 0.77 HTT (0.56) KDM4EKMT2AMEN1TP53HSP90AA1
SCHEMBL19358751 0.76 KDM4E (0.52) KDM4EKMT2AMEN1TP53HSP90AA1

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-2017160670-A1 M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. (US) 2017-09-21 — — WO disclosed
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