SCHEMBL4624575

SCHEMBL4624575

COC(=O)NCc1cc(C(C#N)=NO)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.45
▸ SLC6A4 P31645 7/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ ROCK2 O75116 2/20 0.36
▸ ROCK1 Q13464 2/20 0.36
▸ SLC6A2 P23975 6/20 0.36
▸ SLC6A3 Q01959 6/20 0.36
▸ WDR5 P61964 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ KDM4E B2RXH2 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
SCHEMBL4623208 0.89 TSHR (0.44) TSHRSLC6A4KCNH2HTR2AHPGD
SCHEMBL3323521 0.82 TSHR (0.49) TSHRHPGDSMN1; SMN2ROCK2ROCK1
SCHEMBL3323523 0.82 TSHR (0.49) TSHRHPGDSMN1; SMN2ROCK2ROCK1
SCHEMBL4623289 0.78 TSHR (0.54) TSHRHPGDSMN1; SMN2LMNAKDM4E
SCHEMBL1758939 0.78 TSHR (0.54) TSHRHPGDSMN1; SMN2LMNA
SCHEMBL21901873 0.76 TSHR (0.51) TSHRHPGDSMN1; SMN2ROCK2ROCK1
SCHEMBL4623474 0.74 TSHR (0.56) TSHRSMN1; SMN2LMNA
SCHEMBL4439591 0.72 TSHR (0.54) TSHRSMN1; SMN2LMNA
SCHEMBL12206655 0.72 HDAC10 (0.40) TSHRHPGDSMN1; SMN2LMNAKDM4E
SCHEMBL4624572 0.72 MEN1 (0.36) SLC6A4KCNH2HTR2AHPGDSLC6A3

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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