SCHEMBL7470966

SCHEMBL7470966

COC(=O)c1ccc2sc(C)c(OC)c2c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.38
ABL1 P00519 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK4 Q16654 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CMA1 P23946 2/20 0.37
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 5/20 0.35

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
SCHEMBL7464408 0.87 TDP1 (0.40) MAPTKDM4EALDH1A1HPGDPOLB
SCHEMBL7471683 0.87 MAPK1 (0.34) MAPTNPC1RAB9AL3MBTL1KDM4E
SCHEMBL9117375 0.86 LMNA (0.39) BACE1ABL1CA12CA1CA2
Hydrochloric Acid SCHEMBL7471693 0.86 TDP1 (0.39) MAPTKDM4EALDH1A1HPGDPOLB
SCHEMBL7466991 0.79 DYRK1A (0.32) MAPTNPC1RAB9AL3MBTL1KDM4E
SCHEMBL25469390 0.78 CA12 (0.41) BACE1ABL1CA12CA1CA2
SCHEMBL18529866 0.78 ABL1 (0.49) ABL1CA12CA1CA2CA7
SCHEMBL9117007 0.77 NR4A2 (0.40) ABL1CA12CA1CA2CA7
SCHEMBL7470648 0.75 PDK2 (0.41) ABL1CA12CA1CA2CA7
SCHEMBL4072002 0.75 ALDH1A1 (0.50) ABL1CA12CA1CA2CA7

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
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
WO-1995025105-A1 ISOXAZOLE DERIVATIVES AND THEIR USE 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