SCHEMBL7446891

SCHEMBL7446891

CCN(CC)C(=O)Oc1nc(C)c2cc(OC)c(OC)cc2c1NC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
TSPO P30536 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PDE10A Q9Y233 2/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 2/20 0.34
BCHE P06276 1/20 0.34
MAOA P21397 1/20 0.34
ACHE P22303 1/20 0.34
MAOB P27338 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
DPP4 P27487 1/20 0.34

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
SCHEMBL7426725 0.83 LMNA (0.43) LMNATSPOSMN1; SMN2MAPTNPC1
SCHEMBL7440283 0.83 KDR (0.44) LMNAMAPTRAB9APDE10AHSD17B10
SCHEMBL7447594 0.78 LCK (0.41) TSPOSMN1; SMN2MAPTPOLBNPC1
SCHEMBL7441183 0.76 LMNA (0.39) LMNATSPOSMN1; SMN2MAPTNPC1
SCHEMBL7440286 0.76 LMNA (0.35) LMNATSPOMAPTNPC1RAB9A
SCHEMBL9831668 0.76 KMT2A (0.40) LMNASMN1; SMN2MAPTPOLBNPC1
SCHEMBL7431845 0.74 HPGD (0.45) LMNASMN1; SMN2MAPTPOLBPDE10A
SCHEMBL7435587 0.73 QPCT (0.38) LMNAPDE10AHSD17B10ALDH1A1
SCHEMBL7436056 0.72 KDR (0.42) MAPTRAB9APDE10AHSD17B10TSHR
SCHEMBL7447598 0.71 TSPO (0.34) LMNATSPOSMN1; SMN2MAPTNPC1

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
US-4880817-A O-functionalized derivatives of substituted isoquinolin-3-ols having cardiotonic and/or phosphodiesterase fraction III inhibiting properties and/or renal vasodilating properties ORTHO PHARMACEUTICAL CORPORATION (US) 1989-11-14 US disclosed