SCHEMBL7447598

SCHEMBL7447598

CCCCN(C(N)=O)c1c(OC(=O)N(CC)CC)nc(C)c2cc(OC(=O)N(CC)CC)c(OC(=O)N(CC)CC)cc12

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSPO P30536 4/20 0.34
LMNA P02545 6/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
CRHR1 P34998 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ACHE P22303 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL7440286 0.94 LMNA (0.35) TSPOLMNANPC1MAPTRAB9A
SCHEMBL7436061 0.82 KMT2A (0.32) LMNANPC1MAPTL3MBTL1MEN1
SCHEMBL9831575 0.75 KDM4E (0.36) LMNAMAPTTSHRMEN1KMT2A
SCHEMBL7435587 0.75 QPCT (0.38) LMNAHSD17B10
Water SCHEMBL10786998 0.74 KDM4E (0.38) LMNASMN1; SMN2MAPTTSHRMEN1
SCHEMBL7447594 0.73 LCK (0.41) TSPOSMN1; SMN2NPC1MAPTRAB9A
SCHEMBL7426725 0.72 LMNA (0.43) TSPOLMNASMN1; SMN2NPC1MAPT
SCHEMBL7446891 0.71 LMNA (0.41) TSPOLMNASMN1; SMN2NPC1MAPT
SCHEMBL7440283 0.69 KDR (0.44) LMNAMAPTRAB9ATSHRKDM4E
SCHEMBL7441183 0.65 LMNA (0.39) TSPOLMNASMN1; SMN2NPC1MAPT

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 claimed