SCHEMBL8307586

SCHEMBL8307586

COc1ccc(C(=O)Cc2ccncc2)c2c1OCCCO2

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HSD17B10 Q99714 1/20 0.52
PDE4B Q07343 1/20 0.40
PDE4A P27815 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 1/20 0.39
POLB P06746 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
MAPK1 P28482 1/20 0.38
NPC1 O15118 1/20 0.38
KDM4C Q9H3R0 1/20 0.37
CYP19A1 P11511 3/20 0.37
PDE4D Q08499 1/20 0.37

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
Hydrochloric Acid SCHEMBL6838119 0.99 LMNA (0.51) LMNAKDM4EALDH1A1HSD17B10PDE4B
SCHEMBL6839167 0.95 LMNA (0.58) LMNAKDM4EALDH1A1HSD17B10PDE4B
Hydrochloric Acid SCHEMBL6837535 0.94 LMNA (0.57) LMNAKDM4EALDH1A1HSD17B10PDE4B
SCHEMBL5722859 0.81 PDE4A (0.45) LMNAKDM4EPDE4BPDE4ASMN1; SMN2
Hydrochloric Acid SCHEMBL5723084 0.80 PDE4A (0.44) LMNAKDM4EPDE4BPDE4ASMN1; SMN2
SCHEMBL6836469 0.80 PDE4D (0.62) LMNAKDM4EALDH1A1HSD17B10PDE4B
SCHEMBL5722791 0.78 LMNA (0.39) LMNAKDM4EALDH1A1HSD17B10PDE4B
SCHEMBL6839055 0.78 PDE4D (0.62) LMNAKDM4EALDH1A1HSD17B10PDE4B
SCHEMBL18799169 0.78 PDE4D (0.58) LMNAKDM4EALDH1A1HSD17B10PDE4B
SCHEMBL5723155 0.76 HSP90AA1 (0.44) LMNAPDE4BPDE4ASMN1; SMN2HTT

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
EP-0943613-A1 OXYGENIC HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1999-09-22 EP disclosed