SCHEMBL27846232

SCHEMBL27846232

COc1ccc2nc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4F)cc3)sc2c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.61
RAB9A P51151 4/20 0.61
MEN1 O00255 4/20 0.61
MAPT P10636 6/20 0.55
TP53 P04637 4/20 0.55
BLM P54132 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPC1 O15118 3/20 0.52
APP P05067 2/20 0.52
POLB P06746 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
SCD O00767 1/20 0.49

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
SCHEMBL2193602 0.91 KMT2A (0.74) KMT2ARAB9AMEN1MAPTTP53
SCHEMBL27977367 0.85 SCD (0.61) KMT2ARAB9AMEN1MAPTSMN1; SMN2
SCHEMBL2192766 0.83 SCD (0.56) KMT2ARAB9AMEN1MAPTNPC1
SCHEMBL2000049 0.82 SCD (0.59) KMT2ARAB9AMEN1MAPTSMN1; SMN2
SCHEMBL2196699 0.81 MAPT (0.66) KMT2ARAB9AMEN1MAPTTP53
SCHEMBL27846235 0.81 MAPT (0.57) KMT2ARAB9AMEN1MAPTTP53
SCHEMBL2196123 0.81 SCD (0.57) KMT2ARAB9AMEN1MAPTNPC1
SCHEMBL2191756 0.80 SCD (0.72) KMT2ARAB9AMEN1MAPTSMN1; SMN2
SCHEMBL2195831 0.80 SCD (0.56) KMT2ARAB9AMEN1MAPTTP53
SCHEMBL1999194 0.80 MAPT (0.64) KMT2ARAB9AMEN1MAPTTP53

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
CN-102224423-B Ligands for aggregated tau molecules WISTA LABORATORIES LTD. (SG) 2014-10-22 CN disclosed
CN-102224423-A Ligands for aggregated tau molecules WISTA LAB LTD 2011-10-19 CN disclosed