SCHEMBL16953564

SCHEMBL16953564

C=[C]c1cc(I)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
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ LMNA P02545 3/20 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
▸ KDM4E B2RXH2 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
▸ S1PR2 O95136 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
SCHEMBL16959730 0.81 MAPT (0.46) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL16954404 0.80 MAPT (0.44) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL16957144 0.80 MAPT (0.44) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL16955846 0.77 NQO1 (0.41) MAPTALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL16953530 0.77 GPR3 (0.31) GPR3
SCHEMBL16957903 0.76 — —
SCHEMBL16551505 0.75 MAPT (0.50) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL16952740 0.75 GPR3 (0.42) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL16954022 0.75 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2GAA
SCHEMBL16959969 0.73 LTA4H (0.40) GAACYP2C9CYP2C19

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
Send feedback