SCHEMBL7473479

SCHEMBL7473479

C#CCOc1cc(-n2cc(CC(C)C)[nH]c2=O)c(F)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPOX P50336 10/20 0.33
PGK1 P00558 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL10690143 0.73 PPOX (0.43) PPOXPGK1
SCHEMBL9872162 0.73 PGK1 (0.40) PPOXPGK1HPGD
SCHEMBL76711 0.70 DAO (0.36) ALDH1A1
SCHEMBL16774350 0.70 PGK1 (0.35) PPOXPGK1
SCHEMBL10577109 0.70 PGK1 (0.35) PPOXPGK1
SCHEMBL16774335 0.69 PGK1 (0.36) PPOXPGK1
SCHEMBL9186504 0.69 BCAT1 (0.57)
SCHEMBL9814305 0.68 PPOX (0.39) PPOXPGK1
SCHEMBL9620031 0.68 PPOX (0.39) PPOXPGK1
SCHEMBL8109259 0.68 PPOX (0.38) PPOXPGK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218350-A1 1-ARYL-1,3-DIHYDRO-IMIDAZOL-2-(THI)ONE DERIVATIVES, PRODUCTION OF SAID COMPOUND AND USE AS A DESSICATING/DEFOLIATING AGENT FOR PLANTS BASF AKTIENGESELLSCHAFT (DE) 2002-07-03 EP disclosed
WO-2001025216-A1 1-ARYL-1,3-DIHYDRO-IMIDAZOL-2-(THI)ONE DERIVATIVES, PRODUCTION OF SAID COMPOUND AND USE AS A DESSICATING/DEFOLIATING AGENT FOR PLANTS BASF AKTIENGESELLSCHAFT (DE) 2001-04-12 WO disclosed