SCHEMBL16954404

SCHEMBL16954404

C=[C]c1cc(Br)cc(OCC(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ AMD1 P17707 1/20 0.40
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ LMNA P02545 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ PAX8 Q06710 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ G6PD P11413 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL2279165 0.83 MAPT (0.49) MAPTALDH1A1AMD1MEN1KMT2A
SCHEMBL19136536 0.82 ALDH1A1 (0.57) MAPTALDH1A1AMD1MEN1KMT2A
SCHEMBL16959730 0.81 MAPT (0.46) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL16957144 0.80 MAPT (0.44) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL16953564 0.80 MAPT (0.44) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL16958266 0.77 NQO1 (0.41) MAPTALDH1A1HSD17B10GAA
SCHEMBL16956537 0.77 PGR (0.33) GPR3
SCHEMBL1181898 0.75 MAPT (0.50) MAPTALDH1A1AMD1MEN1KMT2A
SCHEMBL16952740 0.75 GPR3 (0.42) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL16955910 0.75 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2GAA

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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