SCHEMBL8324045

SCHEMBL8324045

CCOC(=O)N(C(N)=S)c1ccccc1N(C(=O)OCC)C(N)=S

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
ALDH1A1 P00352 6/20 0.41
HSD17B10 Q99714 3/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
CYP3A4 P08684 1/20 0.39
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALOX15 P16050 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL7018290 0.79 LMNA (0.42) HSD17B10LMNAPOLBHPGDKDM4E
SCHEMBL29464992 0.76 CASP1 (0.40) TSHRALDH1A1HSD17B10LMNAPOLB
SCHEMBL8609962 0.76 CTDSP1 (0.38) TSHRALDH1A1HSD17B10LMNAPOLB
SCHEMBL2047006 0.76 PKM (0.44) ALDH1A1HSD17B10L3MBTL1CYP1A2CYP2C9
SCHEMBL7531399 0.76 CA1 (0.50) TSHRALDH1A1HSD17B10LMNAPOLB
SCHEMBL27869365 0.75 MAPT (0.40) TSHRALDH1A1HSD17B10LMNAL3MBTL1
SCHEMBL10869589 0.75 ALDH1A1 (0.48) TSHRALDH1A1HSD17B10LMNAPOLB
SCHEMBL27852492 0.74 CYP1A2 (0.38) ALDH1A1HSD17B10LMNAPOLBL3MBTL1
SCHEMBL27989024 0.74 CA12 (0.39) ALDH1A1HSD17B10LMNAL3MBTL1CYP1A2
SCHEMBL27869394 0.73 ALDH1A1 (0.39) ALDH1A1HSD17B10LMNAL3MBTL1CYP1A2

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-0092961-B1 A FUNGICIDAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-07-30 EP claimed
EP-0094329-B1 TANNING PROCESS FOR RENDERING LEATHERS MYCOSTATIC, ANTIMYCOSIC AND ANTIFUNGICIDAL, AND ARTICLES PRODUCED THEREBY Roux, Joel (FR) 1986-01-22 EP claimed
EP-0094329-A1 Tanning process for rendering leathers mycostatic, antimycosic and antifungicidal, and articles produced thereby Roux, Joel (FR) 1983-11-16 EP claimed
EP-0092961-A1 A fungicidal composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-11-02 EP claimed
US-5866594-A Indole-2-carboxylate derivatives and fungicidal compositions for agricultural or horticultural use containing the derivatives as active component OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1999-02-02 US disclosed
EP-0791582-A1 INDOLE-2-CARBOXYLIC ESTER DERIVATIVES AND AGRICULTURAL AND HORTICULTURAL BACTERIOCIDES CONTAINING THE SAME AS THE ACTIVE INGREDIENT OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-08-27 EP disclosed
EP-0094329-B1 TANNING PROCESS FOR RENDERING LEATHERS MYCOSTATIC, ANTIMYCOSIC AND ANTIFUNGICIDAL, AND ARTICLES PRODUCED THEREBY Roux, Joel (FR) 1986-01-22 EP disclosed
EP-0094329-A1 Tanning process for rendering leathers mycostatic, antimycosic and antifungicidal, and articles produced thereby Roux, Joel (FR) 1983-11-16 EP disclosed
EP-0006992-A1 3-(p-Isopropyl-phenyl)-2-methyl-n-propyl amines, fungicides containing these compounds, a method for the preparation of said compounds and a method for combating fungi by using said compounds BASF Aktiengesellschaft (DE) 1980-01-23 EP disclosed