SCHEMBL7475089

SCHEMBL7475089

CC(C(=O)O)c1ccccc1N=C=S

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ MMP2 P08253 2/20 0.40
▸ MMP9 P14780 2/20 0.40
▸ MMP8 P22894 2/20 0.40
▸ MMP12 P39900 2/20 0.40
▸ MMP13 P45452 2/20 0.40
▸ MMP14 P50281 2/20 0.40
▸ MMP16 P51512 2/20 0.40
▸ CXCL8 P10145 2/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ PTGS2 P35354 7/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ ABCB11 O95342 1/20 0.40
▸ NR3C1 P04150 1/20 0.40
▸ ADRA2A P08913 1/20 0.40

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
SCHEMBL2114086 0.79 PTGS2 (0.44) ALDH1A1POLBMMP2MMP9MMP8
SCHEMBL1022343 0.78 ALDH1A1 (0.47) MIFALDH1A1POLBCYP1A2CYP3A4
SCHEMBL6889217 0.76 MIF (0.47) MIFALDH1A1POLBCYP1A2CYP3A4
SCHEMBL2204495 0.75 PTGS2 (0.56) ALDH1A1POLBMMP2MMP9MMP8
SCHEMBL3387728 0.75 CXCL8 (0.41) ALDH1A1MMP2MMP9MMP8MMP12
SCHEMBL6226870 0.72 TSHR (0.53) MIFALDH1A1POLBCYP1A2CYP3A4
SCHEMBL10622769 0.72 HSD17B10 (0.38) MIFMMP2MMP9MMP8MMP12
SCHEMBL1343676 0.70 PTGS2 (0.50) ALDH1A1MMP2MMP9MMP8MMP12
SCHEMBL18797642 0.70 PTGS2 (0.50) ALDH1A1POLBMMP2MMP9MMP8
SCHEMBL1110888 0.69 ALDH1A1 (0.50) MIFALDH1A1POLBMMP2CYP1A2

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 7 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
EP-0629616-B1 Optically active 2-imidazolin-5-one derivatives as fungicides AVENTIS CROPSCIENCE SA (FR) 2001-08-29 — — EP disclosed
EP-0773720-B1 FUNGICIDAL COMPOSITION INCLUDING A 2-IMIDAZOLINE-5-ONE AVENTIS CROPSCIENCE SA (FR) 2000-10-18 — — EP disclosed
EP-0773720-A1 FUNGICIDAL COMPOSITION INCLUDING A 2-IMIDAZOLINE-5-ONE RHONE-POULENC AGROCHIMIE (FR) 1997-05-21 — — EP disclosed
WO-1996003044-A1 FUNGICIDAL COMPOSITION INCLUDING A 2-IMIDAZOLINE-5-ONE RHONE POULENC AGROCHIMIE (FR) 1996-02-08 — — WO disclosed
EP-0629616-A2 Optically aktive 2-imidazolin-5-one and 2-imidazolin-5-thione derivatives as fungicides RHONE-POULENC AGROCHIMIE (FR) 1994-12-21 — — EP 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
Send feedback