SCHEMBL16655429

SCHEMBL16655429

CCCCOC(=O)N1CCOC(Cn2cc([N+](=O)[O-])cn2)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 5/20 0.40
MAPT P10636 2/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
RAB9A P51151 1/20 0.35
PKM P14618 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
GAA P10253 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL16652730 0.84 MAPT (0.42) POLBLMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL16652728 0.84 MAPT (0.42) POLBLMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL31361644 0.84 MAPT (0.42) POLBLMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL31361640 0.84 MAPT (0.42) POLBLMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL30066325 0.82 ALDH1A1 (0.43) POLBLMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL31361712 0.77 DRD4 (0.41) POLBLMNAALDH1A1MAPTKMT2A
SCHEMBL31361681 0.77 ALDH1A1 (0.42) POLBLMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL23764633 0.75 POLB (0.58) POLBLMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL9212935 0.75 POLB (0.58) POLBLMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL3769071 0.75 POLB (0.58) POLBLMNASMN1; SMN2ALDH1A1L3MBTL1

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-2015058129-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION (US) 2015-04-23 WO disclosed