SCHEMBL6914610

SCHEMBL6914610

Cc1cc(CC(=O)Nc2cccc3cc(C(=O)Nc4ccc(Br)cc4-c4noc(=O)[nH]4)[nH]c23)on1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.37
NSD2 O96028 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
LMNA P02545 3/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 2/20 0.33
HIF1A Q16665 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
VHL P40337 1/20 0.33
MAP3K5 Q99683 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL6708872 0.91 GRIK1 (0.39) GRIK1NSD2HDAC3HDAC1LMNA
SCHEMBL6710423 0.89 ALDH1A1 (0.37) NSD2HDAC3HDAC1LMNAHPGD
SCHEMBL6711425 0.88 PARP14 (0.40) GRIK1NSD2MEN1KMT2AMAPT
SCHEMBL6713262 0.88 GRIK1 (0.41) GRIK1NSD2LMNAHPGDSMN1; SMN2
SCHEMBL6709911 0.88 HIF1A (0.36) NSD2HDAC3HDAC1LMNAHPGD
SCHEMBL6707664 0.88 NSD2 (0.41) GRIK1NSD2HDAC3HDAC1LMNA
SCHEMBL6711931 0.88 L3MBTL1 (0.38) GRIK1NSD2MEN1KMT2AMAPT
SCHEMBL6710051 0.87 MEN1 (0.40) GRIK1NSD2HDAC3HDAC1MEN1
SCHEMBL6710107 0.87 GRIK1 (0.39) GRIK1NSD2HDAC3HDAC1LMNA
SCHEMBL6711957 0.86 GRIK1 (0.40) GRIK1NSD2HDAC3HDAC1LMNA

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