SCHEMBL16955293

SCHEMBL16955293

[CH2]c1cc(OCC)ccc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.67
ALDH1A1 P00352 5/20 0.67
LMNA P02545 1/20 0.67
KMT2A Q03164 7/20 0.50
MEN1 O00255 6/20 0.50
MAPK1 P28482 2/20 0.50
RECQL P46063 1/20 0.50
HPGD P15428 1/20 0.48
PTGS2 P35354 1/20 0.46
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 1/20 0.45
NFKB1 P19838 1/20 0.44

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
SCHEMBL6677275 0.84 MAPT (0.73) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL5004832 0.81 ALDH1A1 (0.69) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL22291692 0.81 MAPT (0.69) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL16095485 0.81 ALDH1A1 (0.51) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL10628038 0.80 MAPT (0.67) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL2774063 0.80 MAPT (1.00) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL4899731 0.80 MAPT (0.67) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL16095273 0.80 MAPT (0.67) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL607025 0.80 MAPT (0.67) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL11819120 0.80 MAPT (0.67) MAPTALDH1A1LMNAKMT2AMEN1

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-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed