SCHEMBL5747525

SCHEMBL5747525

Nc1ccc([N+](=O)[O-])cc1-c1ncc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
HSP90AA1 P07900 1/20 0.46
AGTR1 P30556 1/20 0.46
TDP1 Q9NUW8 6/20 0.45
CYP3A4 P08684 4/20 0.45
MAPT P10636 5/20 0.45
PTPRC P08575 1/20 0.45
S100A4 P26447 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MCL1 Q07820 1/20 0.44
ALDH1A1 P00352 3/20 0.44
NAMPT P43490 1/20 0.43
XDH P47989 1/20 0.43
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
TSHR P16473 1/20 0.42
CLK1 P49759 1/20 0.42

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
SCHEMBL4055359 0.84 HSD17B10 (0.49) MEN1KMT2ARAB9ANPC1HSP90AA1
SCHEMBL9292469 0.84 NPC1 (0.44) MEN1KMT2ARAB9ANPC1HSP90AA1
SCHEMBL5249670 0.83 MAPT (0.56) MEN1KMT2ARAB9ANPC1HSP90AA1
SCHEMBL8539529 0.83 GPR35 (0.49) MEN1KMT2ARAB9ANPC1HSP90AA1
SCHEMBL8536767 0.83 CYP3A4 (0.46) MEN1KMT2ARAB9ANPC1HSP90AA1
SCHEMBL8540776 0.82 AMY1A (0.48) MEN1KMT2ARAB9ANPC1HSP90AA1
SCHEMBL31463535 0.82 AMY1A (0.48) MEN1KMT2ARAB9ANPC1HSP90AA1
SCHEMBL8615132 0.80 NPC1 (0.42) MEN1KMT2ARAB9ANPC1HSP90AA1
SCHEMBL10440889 0.80 ABCC8 (0.43) MEN1KMT2ARAB9ANPC1HSP90AA1
SCHEMBL8536769 0.80 NPC1 (0.42) MEN1KMT2ARAB9ANPC1HSP90AA1

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
EP-1674466-A1 2,5- and 2,6-disubstituted benzazole analogues useful as protein kinase inhibitors 4SC AG (DE) 2006-06-28 EP disclosed