SCHEMBL16953707

SCHEMBL16953707

C=[C]c1ccc(Br)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
LMNA P02545 4/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
AHR P35869 2/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
HPGD P15428 2/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CSNK2A1 P68400 1/20 0.31
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL16959162 0.82 AHR (0.33) AHRCSNK2A1
SCHEMBL16955586 0.78 MEN1 (0.31) MEN1KMT2A
SCHEMBL11417446 0.78 AHR (0.43) AHRALDH1A1
SCHEMBL29552192 0.77 VCAM1 (0.44) MEN1KMT2AALDH1A1
SCHEMBL1798189 0.77 VCAM1 (0.44) MEN1KMT2AALDH1A1
SCHEMBL6139748 0.77 MEN1 (0.36) MAPTMEN1KMT2ALMNAHTT
SCHEMBL16960824 0.73 MEN1 (0.38) MAPTMEN1KMT2ALMNAHTT
SCHEMBL16960724 0.73 ALDH1A1 (0.37) MAPTKMT2ALMNANPC1ALDH1A1
SCHEMBL16951593 0.73
SCHEMBL16962228 0.73 KDM1A (0.37)

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