SCHEMBL3348174

SCHEMBL3348174

COc1cc(C2CC(c3ccc(O)c(OC)c3OC)=NO2)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.53
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
MAPK10 P53779 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PTAFR P25105 2/20 0.43
TUBB4A P04350 4/20 0.41
TUBB P07437 4/20 0.41
TUBA3C P0DPH7 4/20 0.41
TUBA1B P68363 4/20 0.41
TUBA4A P68366 4/20 0.41
TUBB4B P68371 4/20 0.41
TUBB3 Q13509 4/20 0.41
TUBB2A Q13885 4/20 0.41
TUBB8 Q3ZCM7 4/20 0.41
TUBA3E Q6PEY2 4/20 0.41

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
SCHEMBL1015152 0.83 MIF (0.57) PTPN1ALDH1A1LMNAHSD17B10USP2
SCHEMBL13660015 0.81 MIF (0.51) PTPN1ALDH1A1LMNAHSD17B10TUBB4A
SCHEMBL5689279 0.81 TUBB4A (0.49) PTPN1HSD17B10TUBB4ATUBBTUBA3C
SCHEMBL13644528 0.79 USP2 (0.53) PTPN1ALDH1A1LMNAHSD17B10PTAFR
SCHEMBL13362374 0.79 USP2 (0.53) PTPN1ALDH1A1LMNAHSD17B10PTAFR
SCHEMBL13644516 0.77 ALDH1A1 (0.56) PTPN1KDM4EALDH1A1GLAHPGD
SCHEMBL5686355 0.76 TUBB4A (0.52) PTPN1ALDH1A1LMNAHSD17B10TUBB4A
SCHEMBL12651372 0.74 ALDH1A1 (0.46) PTPN1ALDH1A1LMNAHSD17B10PTAFR
SCHEMBL13644519 0.72 PTPN1 (0.62) PTPN1KDM4EALDH1A1LMNAHPGD
SCHEMBL17366133 0.71 TUBB4A (0.47) PTPN1ALDH1A1LMNAHPGDHSD17B10

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
WO-2010058417-A1 ISOXAZOLE/ISOXAZOLINE/COMBRETASTATIN LINKED DIHYDROQUINAZOLINONE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-05-27 WO disclosed