SCHEMBL7480455

SCHEMBL7480455

CC1(c2ccccc2)NC(=S)N(Nc2ccccn2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
GAA P10253 1/20 0.39
TSHR P16473 2/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
GFER P55789 1/20 0.36
HTT P42858 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
LMNA P02545 1/20 0.34
FABP1 P07148 1/20 0.34
FABP6 P51161 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
SCHEMBL8919980 0.82 ALDH1A1 (0.49) ALDH1A1GAATSHRTP53KMT2A
SCHEMBL8104964 0.82 ALDH1A1 (0.49) ALDH1A1GAATSHRTP53KMT2A
SCHEMBL9229478 0.72 ALDH1A1 (0.39) ALDH1A1GAAKMT2AMEN1HDAC6
SCHEMBL4237258 0.71 ALDH1A1 (0.56) ALDH1A1GAATSHRTP53KMT2A
SCHEMBL20214572 0.69 ALDH1A1 (0.57) ALDH1A1GAATSHRTP53KMT2A
SCHEMBL7481341 0.69 CNR1 (0.55) ALDH1A1GAATSHRTP53KMT2A
SCHEMBL20214571 0.69 ALDH1A1 (0.57) ALDH1A1GAATSHRTP53KMT2A
SCHEMBL7486579 0.66 CNR1 (0.59) ALDH1A1GAATSHRTP53KMT2A
SCHEMBL7479714 0.65 CYP1A2 (0.53) ALDH1A1GAAKMT2AMEN1GFER
SCHEMBL571502 0.62 ALDH1A1 (0.64) ALDH1A1GAATSHRTP53KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0551048-B1 2-imidazoline-5-one and 2-imidazoline-5-thiones derivatives as fungizides AVENTIS CROPSCIENCE SA (FR) 2002-08-07 EP disclosed
US-6344564-B1 FUNGICIDES RHONE-POULENC, INC. 2002-02-05 US disclosed
US-6018052-A APPLYING TO CROPS OR THEIR SEEDS TO PREVENT OR CURE FUNGAL DISEASES; STEREOSPECIFIC COMPOUND WITH IMPROVED BIOLOGICAL ACTIVITY RHONE-POULENC AGROCHIMIE (FR) 2000-01-25 US disclosed
US-6008370-A FUNGICIDAL IMIDAZOLINONE AND IMIDAZOLINETHIONE COMPOUNDS FOR USE IN PLANT PROTECTION RHONE-POULENC AGROCHIMIE (FR) 1999-12-28 US disclosed
US-6002016-A Fungicidal 2-imidazolin-5-ones and 2-imidazoline-5-thiones RHONE-POULENC AGROCHIMIE (FR) 1999-12-14 US disclosed
CN-1035594-C Derivatives of 2-imidazoline-5-ketone and 2-imidazoline-5-thioketone for killing funguses RHONE POULENC AGROCHIMIE (FR) 1997-08-13 CN disclosed
US-5650519-A Optically active 5, 5-disubstituted-3-(mono- or disubstituted amino)-2-thiohydantoin intermediates to fungicidal 2-imidazolin-5-ones RHONE-POULENC AGROCHIMIE (FR) 1997-07-22 US disclosed
US-5637729-A AGRICULTURE RHONE-POULENC AGROCHIMIE (FR) 1997-06-10 US disclosed
EP-0551048-A1 2-imidazoline-5-one and 2-imidazoline-5-thiones derivatives as fungizides RHONE-POULENC AGROCHIMIE (FR) 1993-07-14 EP disclosed