SCHEMBL16951859

SCHEMBL16951859

C[C](CO)c1cccc(O)c1C#N

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 1/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ CACNA1B Q00975 1/20 0.34
▸ APBA1 Q02410 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ SOS2 Q07890 1/20 0.32
▸ THRB P10828 1/20 0.31
▸ BIRC5 O15392 1/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ ABCG2 Q9UNQ0 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL16957145 0.82 TSHR (0.35) ALDH1A1MAPTKDM4EGAANPC1
SCHEMBL16957472 0.82 CYP1A2 (0.42) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL16955646 0.82 MEN1 (0.33) MEN1KMT2ANPC1THRB
SCHEMBL16953161 0.81 ALDH1A1 (0.39) IKBKBMEN1KMT2AALDH1A1MAPT
SCHEMBL16956400 0.81 HPGD (0.31) —
SCHEMBL16958066 0.81 DYRK1A (0.33) KDM4E
SCHEMBL16953973 0.81 ALDH1A1 (0.36) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL16958945 0.81 KDM4E (0.40) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL16956019 0.79 GABRA1 (0.38) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL16960830 0.78 NPC1 (0.44) MEN1KMT2AALDH1A1MAPTKDM4E

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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