SCHEMBL3352407

SCHEMBL3352407

CC(C)(C)OC(=O)N1CCC(n2cc3ccc([N+](=O)[O-])cc3n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
LMNA P02545 3/20 0.50
ALDH1A1 P00352 1/20 0.50
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
GPR119 Q8TDV5 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NFKB1 P19838 1/20 0.41
CASP3 P42574 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
KCNH2 Q12809 1/20 0.40
DDB1 Q16531 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
SCHEMBL24779924 0.85 KCNH2 (0.42) MAPTLMNAALDH1A1GPR119KCNH2
SCHEMBL25210991 0.83 USP30 (0.46) MAPTGPR119DDB1CRBNHCAR1
SCHEMBL25338952 0.83 NR1H2 (0.46) MAPTALDH1A1NPC1RAB9AGPR119
SCHEMBL25904883 0.83 GPR119 (0.40) MAPTLMNAALDH1A1GPR119SMN1; SMN2
SCHEMBL30291070 0.83 GPR119 (0.39) MAPTLMNAALDH1A1GPR119KCNH2
SCHEMBL28872443 0.82 KMT2A (0.44) MAPTALDH1A1MEN1KMT2AGPR119
SCHEMBL20377783 0.82 DDB1 (0.40) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL20606541 0.82 IRAK4 (0.43)
SCHEMBL30158059 0.81 MAPT (0.44) MAPTALDH1A1KMT2AGPR119DDB1
SCHEMBL20135591 0.81 GPR119 (0.50) GPR119DDB1CRBNHCAR1

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