SCHEMBL16953864

SCHEMBL16953864

[CH2]c1cccc(SC)c1OCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ NQO1 P15559 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ MITF O75030 1/20 0.32
▸ PKM P14618 1/20 0.32

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
SCHEMBL9195589 0.79 ALDH1A1 (0.42) LMNANPSR1NPC1RAB9AMAPT
SCHEMBL16953866 0.79 GRM5 (0.41) LMNANPSR1NPC1RAB9AMAPT
SCHEMBL16961006 0.79 SMN1; SMN2 (0.38) LMNANPC1RAB9AMAPTKMT2A
SCHEMBL21859573 0.78 L3MBTL1 (0.40) LMNANPSR1NPC1RAB9AMAPT
SCHEMBL16950519 0.77 NPC1 (0.37) LMNANPSR1NPC1RAB9AMAPT
SCHEMBL16950516 0.77 LMNA (0.35) LMNANPSR1NPC1RAB9AMAPT
SCHEMBL16957446 0.75 APOBEC3G (0.41) LMNANPSR1NPC1RAB9AMAPT
SCHEMBL796952 0.75 ALDH1A1 (0.45) LMNANPSR1MAPTKMT2AMEN1
SCHEMBL16952456 0.75 SCN4A (0.41) LMNAKMT2AMEN1ALDH1A1TSHR
SCHEMBL16957443 0.74 NPC1 (0.40) LMNANPSR1NPC1RAB9AMAPT

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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