SCHEMBL16954387

SCHEMBL16954387

[CH2]C(C)c1ccc(OCC)c(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.45
▸ HPGD P15428 4/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ LMNA P02545 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TSHR P16473 3/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ TP53 P04637 2/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL16950676 0.87 TDP1 (0.40) MAPTHPGDTDP1L3MBTL1NPC1
SCHEMBL16953675 0.86 KMT2A (0.38) MAPTHPGDTDP1L3MBTL1GAA
SCHEMBL12767841 0.86 NPC1 (0.52) MAPTHPGDTDP1L3MBTL1NPC1
SCHEMBL16958634 0.83 HPGD (0.43) MAPTHPGDTDP1L3MBTL1NPC1
SCHEMBL16955582 0.82 MAPT (0.42) MAPTHPGDTDP1L3MBTL1NPC1
SCHEMBL16954938 0.82 MAPT (0.42) MAPTHPGDTDP1L3MBTL1NPC1
SCHEMBL16960582 0.81 TAS1R3 (0.43) MAPTGAALMNAALDH1A1KMT2A
SCHEMBL16951268 0.80 ALDH1A1 (0.46) MAPTHPGDGAALMNAALDH1A1
SCHEMBL16955266 0.79 KDM1A (0.45) L3MBTL1LMNAALDH1A1MEN1KMT2A
SCHEMBL16959984 0.79 MAPT (0.45) MAPTTDP1L3MBTL1NPC1RAB9A

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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