SCHEMBL5282939

SCHEMBL5282939

CCOC1CN(c2c(F)cc([N+](=O)[O-])cc2F)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.42
ALDH1A1 P00352 7/20 0.42
LMNA P02545 3/20 0.42
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
POLB P06746 2/20 0.34
HTT P42858 1/20 0.34
ACACB O00763 1/20 0.34
GPR174 Q9BXC1 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
S1PR4 O95977 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
FKBP1A P62942 1/20 0.33
NPC1 O15118 1/20 0.33
THRB P10828 1/20 0.32

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
SCHEMBL5294909 0.90 ALDH1A1 (0.40) MAPTALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL5281743 0.84 ALDH1A1 (0.38) MAPTALDH1A1LMNAKMT2APOLB
SCHEMBL6491940 0.78 MAPT (0.48) MAPTALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL5284741 0.78 ACACB (0.37) ACACB
SCHEMBL4705323 0.77 ALDH1A1 (0.41) MAPTALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL240096 0.77 MAPT (0.43) MAPTALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL4703887 0.76 ALDH1A1 (0.40) MAPTALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL6211391 0.76 ALDH1A1 (0.40) MAPTALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL30890308 0.75 HTT (0.53) MAPTALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL31640059 0.75 HTT (0.53) MAPTALDH1A1LMNAKMT2ASMN1; SMN2

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-2007004049-A1 OXAZOLIDINONES CONTAINING AZETIDINE AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2007-01-11 WO disclosed