SCHEMBL1755247

SCHEMBL1755247

O=Nc1ccccc1NC(=O)CBr

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ POLB P06746 1/20 0.39
▸ G6PD P11413 1/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ HDAC3 O15379 2/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC2 Q92769 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ NCOR2 Q9Y618 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 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
SCHEMBL8759092 0.85 HPGD (0.40) KMT2AMEN1POLBG6PDKDM1A
SCHEMBL29531243 0.84 MAPK1 (0.50) KMT2AMEN1KDM1AHDAC3HDAC1
SCHEMBL1939816 0.84 MAPK1 (0.50) KMT2AMEN1KDM1AHDAC3HDAC1
SCHEMBL13652584 0.84 ALDH1A1 (0.49) HPGDMAPK1
SCHEMBL1096891 0.79 GAA (0.50) KMT2AMEN1POLBKDM1AMAPK1
SCHEMBL9133028 0.77 ALDH1A1 (0.57) KMT2AMEN1POLBHPGDMAPK1
SCHEMBL38651149 0.77 ALDH1A1 (0.57) KMT2AMEN1POLBHPGDMAPK1
SCHEMBL5360905 0.77 L3MBTL1 (0.58) KMT2AMEN1HPGDMAPK1
SCHEMBL17550098 0.77 KDM1A (0.62) KMT2AMEN1KDM1AHDAC3HPGD
SCHEMBL14677778 0.76 HDAC3 (0.66) HDAC3HDAC1HDAC2NCOR2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569919-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2012-04-18 — — EP disclosed
US-7642277-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-05 — — US disclosed
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