SCHEMBL4591466

SCHEMBL4591466

O=C(O)Cn1cccc(Br)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ PTGS2 P35354 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39

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
SCHEMBL2822718 0.80 KDM4E (0.43) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL29255151 0.80 KDM4E (0.49) KMT2AALDH1A1KDM4EPOLBTSHR
SCHEMBL5179205 0.79 EGLN1 (0.53) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL27810765 0.79 KMT2A (0.53) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL197253 0.78 ELANE (0.49) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL20541346 0.78 KMT2A (0.49) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL3880731 0.78 KMT2A (0.49) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL4592116 0.78 MAPT (0.49) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL2824950 0.77 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL25073776 0.77 KMT2A (0.51) KMT2AMEN1ALDH1A1MAPTLMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101287738-B Imidazo benzodiazepine derivatives HOFFMANN LA ROCHE 2011-08-10 — — CN disclosed
CN-101287738-A Imidazo benzodiazepine derivatives HOFFMANN LA ROCHE (CH) 2008-10-15 — — CN disclosed
EP-1937688-A1 IMIDAZO BENZODIAZEPINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-07-02 — — EP disclosed
WO-2007042421-A1 IMIDAZO BENZODIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-19 — — WO disclosed
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