SCHEMBL16961211

SCHEMBL16961211

CSc1cccc([C](C)CO)c1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.34
▸ GAA P10253 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ HPGD P15428 5/20 0.33
▸ MAPT P10636 3/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ LMNA P02545 3/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA4 P22748 1/20 0.30
▸ CA7 P43166 1/20 0.30
▸ CA9 Q16790 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
SCHEMBL16957333 0.81 ALDH1A1 (0.37) KMT2AGAAALDH1A1MEN1HPGD
SCHEMBL16952094 0.79 LMNA (0.37) KMT2AGAAALDH1A1MEN1HPGD
SCHEMBL16961356 0.79 KMT2A (0.36) KMT2AGAAALDH1A1MEN1HPGD
SCHEMBL16956070 0.77 MAPT (0.37) KMT2AGAAALDH1A1MEN1HPGD
SCHEMBL16958201 0.77 HPGD (0.35) KMT2AALDH1A1MEN1HPGDSMN1; SMN2
SCHEMBL16962916 0.76 PDE5A (0.35) KMT2AALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL16957606 0.76 MEN1 (0.36) KMT2AGAAALDH1A1MEN1HPGD
SCHEMBL16961299 0.75 ALDH1A1 (0.35) KMT2AGAAALDH1A1MEN1HPGD
SCHEMBL16954341 0.74 TSHR (0.34) ALDH1A1HPGDMAPTSMN1; SMN2LMNA
SCHEMBL16953065 0.74 GABRA1 (0.30) —

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