SCHEMBL7848626

SCHEMBL7848626

Cc1ncc[nH]1.Cc1nccn1-c1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.41
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 3/20 0.40
NR3C2 P08235 1/20 0.39
MAPT P10636 5/20 0.39
THRB P10828 1/20 0.39
NOS1 P29475 1/20 0.37
MEN1 O00255 3/20 0.36
NPC1 O15118 1/20 0.36
HSP90AA1 P07900 1/20 0.36
AGTR1 P30556 1/20 0.36
S1PR4 O95977 1/20 0.35
ATM Q13315 1/20 0.35
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL3836024 0.91 ALDH1A1 (0.56) ALDH1A1KDM4EPOLBKMT2ASMN1; SMN2
SCHEMBL7849307 0.84 ALDH1A1 (0.50) ALDH1A1KDM4EPOLBKMT2ASMN1; SMN2
SCHEMBL2466528 0.75 ALDH1A1 (0.62) ALDH1A1KDM4EPOLBKMT2ASMN1; SMN2
SCHEMBL15218938 0.73 ALDH1A1 (0.51) ALDH1A1KDM4EPOLBKMT2ASMN1; SMN2
SCHEMBL961555 0.70 ALDH1A1 (0.47) ALDH1A1POLBKMT2ASMN1; SMN2RAB9A
SCHEMBL11349289 0.70 ALDH1A1 (0.50) ALDH1A1KDM4EPOLBKMT2ASMN1; SMN2
SCHEMBL2048930 0.69 ALDH1A1 (0.57) ALDH1A1KDM4EPOLBKMT2ASMN1; SMN2
SCHEMBL8540776 0.68 AMY1A (0.48) ALDH1A1KDM4EKMT2ARAB9AMAPT
SCHEMBL31463535 0.68 AMY1A (0.48) ALDH1A1KDM4EKMT2ARAB9AMAPT
SCHEMBL367990 0.68 MAPT (0.47) ALDH1A1POLBKMT2ASMN1; SMN2LMNA

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-1121358-A1 HETEROCYCLYLAMINOMETHYLOXAZOLIDINONES AS ANTIBACTERIALS AstraZeneca AB (SE) 2001-08-08 EP disclosed
WO-2000021960-A1 HETEROCYCLYL AMINO METHYLOXA ZOLIDINONES AS ANTIBACTERIALS ASTRAZENECA AB (SE) 2000-04-20 WO disclosed