SCHEMBL16961565

SCHEMBL16961565

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.50
▸ NPC1 O15118 4/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ LMNA P02545 4/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ RECQL P46063 2/20 0.50
▸ ALDH1A1 P00352 4/20 0.45
▸ HPGD P15428 1/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ S1PR4 O95977 1/20 0.44
▸ PRSS1 P07477 3/20 0.44
▸ ALPG P10696 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.43
▸ THRA P10827 1/20 0.43

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) MAPTNPC1RAB9ALMNASMN1; SMN2
SCHEMBL16957457 0.80 ALDH1A1 (0.51) MAPTLMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL26686689 0.79 MAPT (0.66) MAPTNPC1RAB9ALMNASMN1; SMN2
SCHEMBL2429316 0.79 ALDH1A1 (0.66) MAPTLMNAALDH1A1HPGDMAPK1
SCHEMBL8973132 0.79 CYP19A1 (0.57) MAPTNPC1RAB9ALMNASMN1; SMN2
SCHEMBL1136016 0.78 MAPT (0.53) MAPTNPC1RAB9ALMNASMN1; SMN2
SCHEMBL8424596 0.78 MAPT (0.60) MAPTNPC1RAB9ALMNASMN1; SMN2
SCHEMBL363493 0.78 S1PR4 (0.64) MAPTNPC1RAB9ALMNASMN1; SMN2
SCHEMBL17572152 0.78 MAPT (0.53) MAPTNPC1RAB9ALMNASMN1; SMN2
SCHEMBL16961566 0.77 MAPT (0.50) MAPTNPC1RAB9ALMNASMN1; 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
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
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