SCHEMBL11279587

SCHEMBL11279587

COC(=O)CN(C(=O)CSC(=O)C(C)(C)C)c1c(C)cccc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.35
HSD17B10 Q99714 3/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
NLRP3 Q96P20 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 2/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MLYCD O95822 2/20 0.33

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
SCHEMBL11271154 0.89 RAB9A (0.34) ALDH1A1HSD17B10HPGDALOX15MAPK1
SCHEMBL11294511 0.86 ALDH1A1 (0.33) ALDH1A1HSD17B10HPGDMAPK1LMNA
SCHEMBL11270917 0.85 ALDH1A1 (0.34) ALDH1A1HSD17B10HPGDALOX15MAPK1
SCHEMBL11283192 0.85 RAB9A (0.39) ALDH1A1ALOX15MAPK1MAPTMEN1
SCHEMBL11279726 0.85 RAB9A (0.32) ALDH1A1HPGDRAB9A
SCHEMBL11272346 0.84 ALDH1A1 (0.39) ALDH1A1HSD17B10HPGDALOX15MAPK1
SCHEMBL11275836 0.82 NPSR1 (0.38) ALDH1A1HSD17B10HPGDALOX15MAPK1
SCHEMBL11280635 0.82 ALDH1A1 (0.35) ALDH1A1HSD17B10HPGDALOX15MAPK1
SCHEMBL11276183 0.81 KMT2A (0.48) ALDH1A1HSD17B10HPGDALOX15MAPK1
SCHEMBL11275120 0.81 ALDH1A1 (0.35) ALDH1A1HSD17B10HPGDALOX15MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4313957-A Pesticidal sulfur containing amides derived from aniline and the method of preparation thereof RHONE-POULENC AGROCHIMIE (FR) 1982-02-02 US disclosed