SCHEMBL7107728

SCHEMBL7107728

CCC(C#N)CCn1cccn1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
FDPS P14324 1/20 0.34
THRB P10828 2/20 0.33
DAO P14920 1/20 0.33
LMNA P02545 2/20 0.32

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
SCHEMBL19214737 0.77 FDPS (0.37) TSHRL3MBTL1FDPSTHRBDAO
SCHEMBL10192257 0.74 FDPS (0.38) TSHRL3MBTL1FDPSTHRBDAO
SCHEMBL278529 0.74 L3MBTL1 (0.48) TSHRL3MBTL1FDPSTHRBDAO
SCHEMBL21996528 0.72 TSHR (0.44) TSHRL3MBTL1FDPSTHRBDAO
SCHEMBL31581978 0.72 TSHR (0.44) TSHRL3MBTL1FDPSTHRBDAO
SCHEMBL6126482 0.71 TSHR (0.40) TSHRL3MBTL1FDPSDAOLMNA
SCHEMBL4561595 0.70
SCHEMBL5713341 0.70 DAO (0.50) TSHRFDPSTHRBDAOLMNA
SCHEMBL1075475 0.69 FDPS (0.37) TSHRL3MBTL1FDPSTHRBDAO
SCHEMBL33257 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906285-A1 3-CYANOARYL PYRAZOLES AND USE THEREOF AS HERBICIDES BAYER AG (DE) 1999-04-07 EP claimed
EP-0897383-A1 3-CYANOARYL PYRAZOLES AND THEIR USE AS HERBICIDES BAYER AG (DE) 1999-02-24 EP claimed
WO-1997046535-A1 3-CYANOARYL PYRAZOLES AND USE THEREOF AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-11 WO claimed
WO-1997040018-A1 3-CYANOARYL PYRAZOLES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-30 WO claimed
EP-0973395-B1 DIARYL ETHERS AND PROCESSES FOR THEIR PREPARATION AND HERBICIDAL AND DESICCANT COMPOSITIONS CONTAINING THEM ISK AMERICAS INC (US) 2003-12-03 EP disclosed
EP-0906285-A1 3-CYANOARYL PYRAZOLES AND USE THEREOF AS HERBICIDES BAYER AG (DE) 1999-04-07 EP disclosed
EP-0906285-A1 3-CYANOARYL PYRAZOLES AND USE THEREOF AS HERBICIDES BAYER AG (DE) 1999-04-07 EP disclosed
EP-0897383-A1 3-CYANOARYL PYRAZOLES AND THEIR USE AS HERBICIDES BAYER AG (DE) 1999-02-24 EP disclosed
EP-0897383-A1 3-CYANOARYL PYRAZOLES AND THEIR USE AS HERBICIDES BAYER AG (DE) 1999-02-24 EP disclosed
WO-1997046535-A1 3-CYANOARYL PYRAZOLES AND USE THEREOF AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-11 WO disclosed
WO-1997046535-A1 3-CYANOARYL PYRAZOLES AND USE THEREOF AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-11 WO disclosed
WO-1997040018-A1 3-CYANOARYL PYRAZOLES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-30 WO disclosed
WO-1997040018-A1 3-CYANOARYL PYRAZOLES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-30 WO disclosed