SCHEMBL9112879

SCHEMBL9112879

CCSc1c(OC)cccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA12 O43570 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA4 P22748 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 4/20 0.41
TP53 P04637 2/20 0.41
HPGD P15428 2/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTR1A P08908 1/20 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
SCHEMBL5345977 0.80 SLC6A4 (0.47) NOS3NOS1
SCHEMBL8444448 0.76 MTNR1A (0.51) CA1CA2CA7CA9CA12
SCHEMBL38664341 0.75 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL9195428 0.75 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL20121222 0.75 HPGD (0.40) CA1CA2CA7CA9CA12
SCHEMBL17041607 0.75 HTR2A (0.46) CA1CA2CA7CA9CA12
SCHEMBL11209832 0.74 CA12 (0.50) CA1CA2CA7CA9CA12
SCHEMBL19756660 0.74 HTR2A (0.40) SMN1; SMN2ALDH1A1HPGDMAPK1LMNA
SCHEMBL11209836 0.74 MAPT (0.53) CA1CA2CA7CA9CA12
SCHEMBL4311047 0.73 CA1 (0.52) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed