SCHEMBL3354814

SCHEMBL3354814

CCN1CCC(n2cc3ccc([N+](=O)[O-])cc3n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
KMT2A Q03164 8/20 0.46
MEN1 O00255 6/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 3/20 0.46
NFKB1 P19838 1/20 0.46
CASP3 P42574 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
ALDH1A1 P00352 5/20 0.40
POLB P06746 1/20 0.40
PKM P14618 2/20 0.40
HPGD P15428 1/20 0.40
DRD4 P21917 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL3358873 0.87 MAPT (0.59) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL3357865 0.84 MAPT (0.52) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL3354928 0.81 MAPT (0.53) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL3351305 0.79 MAPT (0.47) MAPTKMT2ASMN1; SMN2ALDH1A1DRD4
SCHEMBL13537595 0.79 MET (0.36) KMT2ADRD4
SCHEMBL3352407 0.78 MAPT (0.50) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL3352833 0.74 MAPT (0.45) MAPTKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL18896263 0.74 MAPT (0.66) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL3358021 0.74 HTR7 (0.47) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL22648384 0.74 ALDH1A1 (0.40) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1

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
EP-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed