SCHEMBL16959460

SCHEMBL16959460

C=C[C](C)c1cccc(SC)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.36
▸ MAPT P10636 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.33
▸ GAA P10253 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL16958247 0.80 KMT2A (0.40) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL16953025 0.79 ALDH1A1 (0.33) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL16956284 0.79 ALDH1A1 (0.33) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL16958238 0.79 ALDH1A1 (0.33) KMT2AALDH1A1GAAHTT
SCHEMBL16954205 0.78 TSHR (0.48) ALDH1A1HTT
SCHEMBL16951646 0.77 MAPT (0.35) KMT2AMAPTALDH1A1GAAHTT
SCHEMBL16956875 0.77 P2RX7 (0.37) KMT2AMEN1ALDH1A1HTTMAPK1
SCHEMBL16959447 0.77 ALDH1A1 (0.42) ALDH1A1
SCHEMBL16961582 0.77 TSHR (0.43) KMT2AMEN1ALDH1A1LMNAMAPK1
SCHEMBL16953044 0.75 CYP11B1 (0.39) KMT2AMEN1ALDH1A1GAASMN1; SMN2

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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