SCHEMBL1496685

SCHEMBL1496685

O=C(Cc1cccs1)Nc1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.67
KMT2A Q03164 11/20 0.67
POLB P06746 4/20 0.67
ALDH1A1 P00352 4/20 0.67
LMNA P02545 7/20 0.65
HTT P42858 3/20 0.65
RECQL P46063 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.57
BLM P54132 1/20 0.57
MAPT P10636 1/20 0.55
RAB9A P51151 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA5A P35218 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA13 Q8N1Q1 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
ESR1 P03372 1/20 0.53

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
SCHEMBL1496616 0.79 MEN1 (0.58) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL1455735 0.79 KMT2A (1.00) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL10817708 0.79 POLB (0.68) MEN1KMT2APOLBALDH1A1HTT
SCHEMBL9843646 0.78 LMNA (0.66) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL6593159 0.77 LMNA (0.68) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL6769086 0.77 LMNA (0.64) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL1496783 0.76 MEN1 (0.54) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL5182303 0.75 LMNA (0.69) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL3792013 0.74 LMNA (0.64) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL15562567 0.74 LMNA (0.64) MEN1KMT2APOLBALDH1A1LMNA

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