SCHEMBL1496819

SCHEMBL1496819

O=C(Nc1ccc(F)c([N+](=O)[O-])c1)Oc1ccco1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.55
MEN1 O00255 8/20 0.55
LMNA P02545 7/20 0.55
MAPT P10636 7/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
HTT P42858 2/20 0.55
ALDH1A1 P00352 7/20 0.49
MCL1 Q07820 1/20 0.49
TRPV1 Q8NER1 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 2/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL1455278 0.79 RAB9A (0.69) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL5881545 0.78 LMNA (0.63) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL29780113 0.78 LMNA (0.63) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL29537831 0.74 LMNA (0.58) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL1885546 0.74 LMNA (0.58) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL2853072 0.73 LMNA (0.73) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL2853073 0.73 LMNA (0.73) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL4397568 0.73 MEN1 (0.51) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL29463677 0.72 LMNA (0.65) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL18812865 0.72 LMNA (0.65) KMT2AMEN1LMNAMAPTSMN1; SMN2

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-2011023722-A1 NOVEL QUINOXALINONE HEPCIDIN ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2011-03-03 WO disclosed