SCHEMBL1065964

SCHEMBL1065964

O=[N+]([O-])c1cc([C]2CC2)ccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 9/20 0.51
▸ MAPT P10636 4/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ DHFR P00374 1/20 0.49
▸ NPBWR1 P48145 1/20 0.46
▸ MCHR1 Q99705 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ MAPK1 P28482 1/20 0.45
▸ NCOA1 Q15788 1/20 0.45
▸ NCOA3 Q9Y6Q9 1/20 0.45

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
SCHEMBL5992360 0.86 VCAM1 (0.60) VCAM1MAPTMEN1ALDH1A1KMT2A
SCHEMBL2461199 0.84 VCAM1 (0.58) VCAM1MAPTMEN1ALDH1A1KMT2A
SCHEMBL1897629 0.78 CRHBP (0.58) VCAM1MAPTMEN1ALDH1A1KMT2A
SCHEMBL1896442 0.76 ALDH1A1 (0.53) VCAM1MAPTMEN1ALDH1A1KMT2A
SCHEMBL1901253 0.76 VCAM1 (0.53) VCAM1MAPTMEN1ALDH1A1KMT2A
SCHEMBL10663504 0.75 MAPT (0.66) VCAM1MAPTMEN1ALDH1A1KMT2A
SCHEMBL14956482 0.75 VCAM1 (0.60) VCAM1ALDH1A1NPBWR1MCHR1
SCHEMBL358730 0.74 MAPK1 (0.69) VCAM1ALDH1A1TDP1MAPK1
SCHEMBL29394047 0.74 MAPK1 (0.69) VCAM1ALDH1A1TDP1MAPK1
SCHEMBL4088964 0.74 MAPT (0.56) VCAM1MAPTMEN1ALDH1A1KMT2A

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-2277869-A1 Cycloalkylamidbenzoxa(thia)zoles as fungicides Bayer CropScience AG (DE) 2011-01-26 — — EP disclosed
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