SCHEMBL7531322

SCHEMBL7531322

CCC(CCN=C(C)NC#N)c1ccsc1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 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
SCHEMBL7537951 0.73 ADORA2A (0.45)
SCHEMBL13848615 0.70 CHRNB2 (0.36) ALOX5
SCHEMBL12464829 0.69 ALOX5 (0.39) ALOX5
SCHEMBL12462086 0.69 ALOX5 (0.36) ALOX5
SCHEMBL20963155 0.69 ALOX5 (0.36) ALOX5
SCHEMBL14516277 0.67 NR1I2 (0.41) ALOX5
SCHEMBL7531851 0.67 ALOX5 (0.34) ALOX5
SCHEMBL22995905 0.66 ALOX5 (0.39) ALOX5
SCHEMBL941963 0.66 NR1I2 (0.46) ALOX5
SCHEMBL29110953 0.65 ALOX5 (0.41) ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002543099-A 2002-12-17 JP claimed
EP-1198172-A1 USE OF N-SUBSTITUTED HETEROCYCLYLALKYLAMINES AS HERBICIDES AND NOVEL N-SUBSTITUTED THIENYLALKYLAMINES Bayer Aktiengesellschaft (DE) 2002-04-24 EP claimed
WO-2000065916-A1 USE OF N-SUBSTITUTED HETEROCYCLYLALKYLAMINES AS HERBICIDES AND NOVEL N-SUBSTITUTED THIENYLALKYLAMINES BAYER AKTIENGESELLSCHAFT (DE) 2000-11-09 WO claimed
EP-1198172-A1 USE OF N-SUBSTITUTED HETEROCYCLYLALKYLAMINES AS HERBICIDES AND NOVEL N-SUBSTITUTED THIENYLALKYLAMINES Bayer Aktiengesellschaft (DE) 2002-04-24 EP disclosed
WO-2000065916-A1 USE OF N-SUBSTITUTED HETEROCYCLYLALKYLAMINES AS HERBICIDES AND NOVEL N-SUBSTITUTED THIENYLALKYLAMINES BAYER AKTIENGESELLSCHAFT (DE) 2000-11-09 WO disclosed