SCHEMBL16958247

SCHEMBL16958247

CSc1cccc([C](C)C)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.40
▸ MAPT P10636 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.37
▸ HTT P42858 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ GAA P10253 2/20 0.34
▸ HPGD P15428 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ TSHR P16473 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
SCHEMBL16961356 0.81 KMT2A (0.36) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL29276547 0.80 TSHR (0.57) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL16959460 0.80 KMT2A (0.36) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL3787197 0.79 MAPT (0.44) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL16952148 0.75 ALDH1A1 (0.37) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL16957333 0.75 ALDH1A1 (0.37) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL2162442 0.74 TSHR (0.50) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL10706917 0.73 TSHR (0.58) ALDH1A1HTTLMNATSHR
SCHEMBL1146294 0.73 MAPT (0.53) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL12093642 0.71 MAPT (0.40) KMT2AMAPTMEN1ALDH1A1LMNA

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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