SCHEMBL7469703

SCHEMBL7469703

COc1csc2ccc(C(=O)CC(=O)C3CC3)c(Cl)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
STK17B O94768 1/20 0.35
MAPT P10636 5/20 0.33
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 2/20 0.32
LMNA P02545 1/20 0.32
MCL1 Q07820 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
STING1 Q86WV6 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
HTR1A P08908 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
DYRK1A Q13627 1/20 0.31
IDO1 P14902 1/20 0.30

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
SCHEMBL7472213 0.89 MAPT (0.35) MTNR1AMTNR1BSTK17BMAPTKMT2A
SCHEMBL6183154 0.87 MTNR1A (0.36) MTNR1AMTNR1BSTK17BMAPTKMT2A
SCHEMBL9237893 0.81 MAPT (0.34) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL6185512 0.79 CHEK1 (0.43) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL7466991 0.78 DYRK1A (0.32) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL6182352 0.77 ALDH1A1 (0.41) MAPTALDH1A1TSHRKDM4E
SCHEMBL7464618 0.77 CLK1 (0.34) MAPTKMT2AMEN1LMNAL3MBTL1
Hydrochloric Acid SCHEMBL7464629 0.76 ALDH1A1 (0.40) MAPTALDH1A1TSHRKDM4E
SCHEMBL9237578 0.75 STK17B (0.31) STK17BMAPT
SCHEMBL7476422 0.75 STK17B (0.31) MTNR1AMTNR1BSTK17BIRAK4

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