SCHEMBL9252162

SCHEMBL9252162

COc1n[c]nc(C)c1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 1/20 0.40
BRD4 O60885 2/20 0.38
CHEK1 O14757 1/20 0.38
AKT2 P31751 1/20 0.38
BRD2 P25440 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 3/20 0.37
KMT2A Q03164 2/20 0.37
CASP1 P29466 1/20 0.37
TDO2 P48775 1/20 0.36

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
SCHEMBL8185529 0.89 PDE4B (0.42) SQORPDE4APDE4BPDE4CPDE4D
SCHEMBL8479871 0.75 MAPT (0.40) SQORBRD4CHEK1AKT2BRD2
SCHEMBL12084050 0.69 ALDH1A1 (0.45) SQORBRD4CHEK1AKT2BRD2
SCHEMBL8474322 0.68 MAPT (0.37) SQORPDE4APDE4BPDE4CPDE4D
SCHEMBL8478077 0.68
SCHEMBL8477183 0.66 MAPT (0.36) SQORPDE4APDE4BPDE4CPDE4D
SCHEMBL8475027 0.66 BRD4 (0.42) BRD4CHEK1AKT2BRD2SMN1; SMN2
SCHEMBL14985964 0.66 NPC1 (0.59) SQORSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL4724450 0.66 NPC1 (0.39) SQORSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL10558033 0.65 SMN1; SMN2 (0.31) SMN1; SMN2GAAKMT2ACYP1A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5461024-A Herbicides KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1995-10-24 US disclosed
EP-0575435-A1 THIOPHENESULFONYLUREA DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-12-29 EP disclosed
WO-1992016525-A1 THIOPHENESULFONYLUREA DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1992-10-01 WO disclosed