SCHEMBL16958113

SCHEMBL16958113

[CH2]C(C)c1cc([N+](=O)[O-])ccc1OCC

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ LMNA P02545 3/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ NPBWR1 P48145 1/20 0.46
▸ MCHR1 Q99705 1/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.45
▸ CYSLTR2 Q9NS75 1/20 0.45
▸ CYSLTR1 Q9Y271 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HTT P42858 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL16957108 0.90 CYP19A1 (0.51) MAPTALDH1A1KMT2ALMNANPSR1
SCHEMBL16956438 0.85 MAPT (0.49) MAPTALDH1A1KMT2ALMNANPSR1
SCHEMBL16956994 0.84 SMN1; SMN2 (0.57) MAPTALDH1A1KMT2ALMNANPSR1
SCHEMBL16956517 0.84 MAPT (0.48) MAPTALDH1A1KMT2ALMNANPSR1
SCHEMBL16952486 0.84 MAPT (0.48) MAPTALDH1A1KMT2ALMNANPSR1
SCHEMBL16960694 0.83 CYP19A1 (0.51) MAPTALDH1A1KMT2ALMNANPSR1
SCHEMBL16960064 0.81 MAPT (0.44) MAPTALDH1A1KMT2ALMNANPSR1
SCHEMBL30365378 0.80 MAPT (0.62) MAPTALDH1A1KMT2ALMNANPSR1
SCHEMBL4238772 0.80 MAPT (0.62) MAPTALDH1A1KMT2ALMNANPSR1
SCHEMBL16953668 0.80 POLB (0.43) MAPTALDH1A1KMT2ALMNASMN1; 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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