SCHEMBL4623207

SCHEMBL4623207

CO/N=C(\C#N)c1ccc(Cl)c(C(N)C(=O)OC)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ NR3C1 P04150 1/20 0.33
▸ NR3C2 P08235 1/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ RAPGEF3 O95398 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.30
▸ SLC6A3 Q01959 2/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ TAS1R3 Q7RTX0 1/20 0.30
▸ TAS1R1 Q7RTX1 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
SCHEMBL4624572 0.89 MEN1 (0.36) CYP1A2MEN1KMT2ACYP3A4NR3C1
SCHEMBL27551859 0.78 ALDH1A1 (0.50) CYP1A2MEN1KMT2ACYP3A4CYP2D6
SCHEMBL4623208 0.72 TSHR (0.44) CYP1A2MEN1KMT2ACYP2D6CYP2C9
SCHEMBL5101666 0.67 CASP1 (0.44) KMT2ACYP2C19ALDH1A1
SCHEMBL29975235 0.67 CASP1 (0.44) KMT2ACYP2C19ALDH1A1
SCHEMBL29557046 0.67 CASP1 (0.44) KMT2ACYP2C19ALDH1A1
SCHEMBL13306848 0.67 CASP1 (0.44) KMT2ACYP2C19ALDH1A1
SCHEMBL1159853 0.67 CASP1 (0.44) KMT2ACYP2C19ALDH1A1
SCHEMBL10085282 0.67 MAPT (0.42) KMT2AALDH1A1L3MBTL1MAPTHPGD
Hydrochloric Acid SCHEMBL28793542 0.66 CASP1 (0.43) KMT2ACYP2C19ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1201648-B1 CARBAMATE DERIVATIVES AND AGRICULTURAL/HORTICULTURAL BACTERICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2008-04-02 — — EP disclosed
US-6812229-B1 OXIME SUBSTITUTED PHENYL; RAIN-FAST WITHOUT CROP DAMAGE; CUCUMBER DOWNY MILDEW, APPLE SCAB, WHEAT POWDERY MILDEW, RICE BLAST, CUCUMBER GRAY MOLD, RICE SHEATH BLIGHT, WHEAT BROWN LEAF RUST, WHEAT SEPTORIA LEAF BLOTCH AND CUCUMBER STEM ROT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-11-02 — — US disclosed
EP-1201648-A1 CARBAMATE DERIVATIVES AND AGRICULTURAL/HORTICULTURAL BACTERICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2002-05-02 — — EP disclosed
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