SCHEMBL7464618

SCHEMBL7464618

COc1csc2ccc(C(=O)Cl)c(Cl)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 3/20 0.34
CLK4 Q9HAZ1 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CLK2 P49760 1/20 0.34
IRAK4 Q9NWZ3 2/20 0.33
ABCG2 Q9UNQ0 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
STING1 Q86WV6 1/20 0.33
CHEK1 O14757 1/20 0.33
MET P08581 1/20 0.33
GSK3B P49841 1/20 0.33
LIMK1 P53667 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 3/20 0.32
LMNA P02545 1/20 0.32
RORC P51449 1/20 0.32

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
SCHEMBL6182352 0.88 ALDH1A1 (0.41) POLBMAPTTSHRMAPK1HTT
Hydrochloric Acid SCHEMBL7464629 0.87 ALDH1A1 (0.40) POLBMAPTTSHRMAPK1PPARG
SCHEMBL6185512 0.87 CHEK1 (0.43) CLK4MEN1KMT2AIRAK4L3MBTL1
SCHEMBL7462861 0.84 KMT2A (0.38) CLK1MEN1KMT2AL3MBTL1MAPT
SCHEMBL9237198 0.79 ABCG2 (0.33) MEN1KMT2AABCG2STING1POLB
SCHEMBL7469703 0.77 MTNR1A (0.36) MEN1KMT2AIRAK4L3MBTL1STING1
SCHEMBL8492183 0.73 POLB (0.42) MEN1KMT2APOLBNPC1MAPT
SCHEMBL9237578 0.73 STK17B (0.31) MAPT
SCHEMBL7476511 0.72 TSHR (0.40) MEN1KMT2AL3MBTL1NPC1MAPT
SCHEMBL7462608 0.72 STAT3 (0.35) IRAK4NPC1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636622-B1 Isoxazole derivatives and their use as herbicides AVENTIS AGRICULTURE LTD (GB) 2002-10-23 EP disclosed
EP-1160244-A1 Isoxazole derivatives and their use as herbicides RHONE-POULENC AGRICULTURE LIMITED (GB) 2001-12-05 EP disclosed
US-5489570-A PRE- OR POST-EMERGENCE RHONE-POULENC AGRICULTURE LIMITED (GB) 1996-02-06 US disclosed
WO-1995025099-A1 2-CYANO-1,3-DIONE DERIVATIVES USEFUL AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1995-09-21 WO disclosed
EP-0636622-A1 Isoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1995-02-01 EP disclosed