SCHEMBL8229890

SCHEMBL8229890

CCOC(=S)c1c(CC)nc2sccn12

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.57
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RXFP1 Q9HBX9 1/20 0.38
ALOX12 P18054 1/20 0.38
NR1I3 Q14994 2/20 0.37
ALOX15 P16050 1/20 0.37
DYRK1A Q13627 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL9517372 0.86 MAPK1 (0.72) MAPK1KDM4EHPGDALDH1A1RECQL
SCHEMBL2827309 0.74 MAPK1 (0.71) MAPK1KDM4EHPGDALDH1A1RECQL
SCHEMBL952278 0.72 MAPK1 (1.00) MAPK1KDM4EHPGDALDH1A1RECQL
SCHEMBL9518838 0.72 MAPK1 (0.56) MAPK1KDM4EALDH1A1HSD17B10RXFP1
SCHEMBL9517362 0.71 MAPK1 (0.71) MAPK1KDM4EHPGDALDH1A1RECQL
SCHEMBL14754844 0.71 NR1I3 (0.52) MAPK1KDM4EHPGDALDH1A1HSD17B10
SCHEMBL23783453 0.70 MAPK1 (0.70) MAPK1KDM4EHPGDALDH1A1RECQL
SCHEMBL20181584 0.70 MAPK1 (0.48) MAPK1KDM4EHPGDNR1I3ALOX15
SCHEMBL20181585 0.70 MAPK1 (0.48) MAPK1KDM4EHPGDALDH1A1ALOX15
SCHEMBL8812585 0.69 MAPK1 (0.72) MAPK1KDM4EHPGDALDH1A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6124243-A Method of controlling graminaceous weeds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-26 US disclosed
EP-0477808-B1 Herbicides TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-07-16 EP disclosed
US-5534482-A CONTROLLING BLACK GRASS AND DOWNY BROME; WHEAT, BARLEY, OATS, AND RYE TAKEDA CHEMICAL INDUSTRIES, LTD. 1996-07-09 US disclosed
EP-0477808-A1 Herbicides Takeda Chemical Industries, Ltd. (JP) 1992-04-01 EP disclosed