SCHEMBL6917982

SCHEMBL6917982

O=C(COc1ccc2ccccc2c1)Nc1cccc2cc(C(=O)Nc3ccc(Br)cc3-c3noc(=O)[nH]3)[nH]c12.O=C(Cc1cccc2ccccc12)Nc1cccc2cc(C(=O)Nc3ccc(Br)cc3-c3noc(=O)[nH]3)[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.46
KMT2A Q03164 8/20 0.46
LMNA P02545 3/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
GAA P10253 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
BACE1 P56817 2/20 0.39
MAPT P10636 1/20 0.38
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
PTPRC P08575 1/20 0.35
GALR3 O60755 1/20 0.35

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
SCHEMBL6707769 0.93 MEN1 (0.48) MEN1KMT2ALMNAKDM4EHTT
SCHEMBL6712548 0.92 KMT2A (0.48) MEN1KMT2ALMNAKDM4EBACE1
SCHEMBL6714076 0.88 KMT2A (0.41) MEN1KMT2ALMNAKDM4EHTT
SCHEMBL6709883 0.85 GAA (0.47) MEN1KMT2ALMNACYP3A4CYP2C19
SCHEMBL6713651 0.85 MEN1 (0.44) MEN1KMT2AL3MBTL1
SCHEMBL6707838 0.84 CSNK1D (0.44) MEN1KMT2ALMNAKDM4EGAA
SCHEMBL6709037 0.84 PARP14 (0.42) MEN1KMT2ABACE1MAPTALDH1A1
SCHEMBL6707664 0.84 NSD2 (0.41) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL6707627 0.83 KMT2A (0.46) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL6713903 0.83 GAA (0.43) MEN1KMT2ALMNACYP3A4CYP2C19

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-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed