SCHEMBL27977367

SCHEMBL27977367

COc1ccc2nc(-c3ccc(NC(=O)c4ccccc4)cc3)sc2c1.O=[N+]([O-])c1ccccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 8/20 0.61
RAB9A P51151 5/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
MMP2 P08253 1/20 0.59
MMP9 P14780 1/20 0.59
MMP8 P22894 1/20 0.59
MMP13 P45452 1/20 0.59
APP P05067 1/20 0.54
MAPT P10636 4/20 0.53
NPC1 O15118 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPK1 P28482 1/20 0.53
LMNA P02545 2/20 0.52
POLB P06746 2/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
CTSL P07711 1/20 0.52

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
SCHEMBL1983311 0.92 MMP2 (0.69) SCDRAB9AMEN1KMT2AMMP2
SCHEMBL2193602 0.90 KMT2A (0.74) SCDRAB9AMEN1KMT2AAPP
SCHEMBL2000049 0.90 SCD (0.59) SCDRAB9AMEN1KMT2AAPP
SCHEMBL2191756 0.88 SCD (0.72) SCDRAB9AMEN1KMT2AAPP
SCHEMBL2196699 0.87 MAPT (0.66) SCDRAB9AMEN1KMT2AMMP2
SCHEMBL2196123 0.86 SCD (0.57) SCDRAB9AMEN1KMT2AAPP
SCHEMBL2193132 0.86 SCD (0.56) SCDRAB9AMEN1KMT2AAPP
SCHEMBL2195831 0.86 SCD (0.56) SCDRAB9AMEN1KMT2AAPP
SCHEMBL1999194 0.86 MAPT (0.64) SCDRAB9AMEN1KMT2AAPP
SCHEMBL2192766 0.86 SCD (0.56) SCDRAB9AMEN1KMT2AAPP

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
CN-102224423-B Ligands for aggregated tau molecules WISTA LABORATORIES LTD. (SG) 2014-10-22 CN disclosed