SCHEMBL11676773

SCHEMBL11676773

COC(=O)NC(=S)Nc1ccccc1NC(N)=O

nearest known ligand 0.90

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.90
LMNA P02545 3/20 0.90
HPGD P15428 3/20 0.90
ALOX15 P16050 1/20 0.90
HSD17B10 Q99714 1/20 0.90
KMT2A Q03164 3/20 0.54
KDM4E B2RXH2 5/20 0.50
ALOX12 P18054 3/20 0.50
EPHX1 P07099 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 4/20 0.49
MEN1 O00255 1/20 0.49

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
Thiophanate Methyl SCHEMBL41622 0.95 ALDH1A1 (1.00) ALDH1A1LMNAHPGDALOX15HSD17B10
Thiophanate Methyl SCHEMBL29422247 0.95 ALDH1A1 (1.00) ALDH1A1LMNAHPGDALOX15HSD17B10
Thiophanate Methyl SCHEMBL16537027 0.93 ALDH1A1 (0.96) ALDH1A1LMNAHPGDALOX15HSD17B10
Thiophanate Methyl SCHEMBL28315984 0.93 ALDH1A1 (0.96) ALDH1A1LMNAHPGDALOX15HSD17B10
SCHEMBL11677871 0.91 ALDH1A1 (0.93) ALDH1A1LMNAHPGDALOX15HSD17B10
SCHEMBL11677843 0.91 ALDH1A1 (0.79) ALDH1A1LMNAHPGDALOX15HSD17B10
SCHEMBL11879221 0.88 ALDH1A1 (0.87) ALDH1A1LMNAHPGDALOX15HSD17B10
SCHEMBL11796333 0.88 ALDH1A1 (0.87) ALDH1A1LMNAHPGDALOX15HSD17B10
SCHEMBL29376012 0.88 ALDH1A1 (0.87) ALDH1A1LMNAHPGDALOX15HSD17B10
SCHEMBL11677674 0.88 ALDH1A1 (0.87) ALDH1A1LMNAHPGDALOX15HSD17B10

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
US-4010278-A FUNGICIDES, MITE OVICIDES E. I. DU PONT DE NEMOURS AND CO. (US) 1977-03-01 US disclosed
US-3943163-A FUNGICIDE, MITE OVICIDE E. I. DU PONT DE NEMOURS & CO. (US) 1976-03-09 US disclosed