SCHEMBL4623208

SCHEMBL4623208

CON=C(C#N)c1ccc(Cl)c(CNC(=O)OC)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.44
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ SLC6A4 P31645 5/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ROCK2 O75116 2/20 0.35
▸ ROCK1 Q13464 2/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ SLC6A2 P23975 4/20 0.35
▸ SLC6A3 Q01959 4/20 0.35
▸ WDR5 P61964 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL4624575 0.89 TSHR (0.45) TSHRSLC6A4KCNH2HTR2AHPGD
SCHEMBL1758939 0.77 TSHR (0.54) TSHRHPGDMEN1ALDH1A1KMT2A
SCHEMBL4623289 0.77 TSHR (0.54) TSHRCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3323523 0.76 TSHR (0.49) TSHRHPGDMEN1ALDH1A1KMT2A
SCHEMBL3323521 0.76 TSHR (0.49) TSHRHPGDMEN1ALDH1A1KMT2A
SCHEMBL21901873 0.75 TSHR (0.51) TSHRHPGDMEN1ALDH1A1KMT2A
SCHEMBL4623474 0.73 TSHR (0.56) TSHRMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4623207 0.72 CYP1A2 (0.35) CYP1A2CYP2D6CYP2C9CYP2C19HPGD
SCHEMBL3326140 0.71 TSHR (0.42) TSHRHPGDMEN1KMT2AROCK2
SCHEMBL3326135 0.71 TSHR (0.42) TSHRHPGDMEN1KMT2AROCK2

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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