SCHEMBL16957628

SCHEMBL16957628

C=[C]c1ccc([N+](=O)[O-])c(OCC)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.53
▸ LMNA P02545 5/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ KMT2A Q03164 6/20 0.44
▸ MEN1 O00255 5/20 0.44
▸ RECQL P46063 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ NPC1 O15118 5/20 0.39
▸ RAB9A P51151 5/20 0.39
▸ GAA P10253 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TRPV4 Q9HBA0 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL16957584 0.88 LMNA (0.48) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL11314438 0.86 MAPT (0.55) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL31432402 0.85 TRPV4 (0.54) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL16952936 0.83 ALDH1A1 (0.51) MAPTLMNAALDH1A1KMT2AMAPK1
SCHEMBL16952275 0.80 MAPT (0.57) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL11058768 0.78 MAPT (0.58) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL5068190 0.78 MAPT (0.58) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL16961565 0.77 MAPT (0.50) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL309636 0.76 MAPT (0.57) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL316689 0.76 MAPT (0.57) MAPTLMNAALDH1A1KMT2AMEN1

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
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