SCHEMBL7989157

SCHEMBL7989157

CCCCn1c(=O)c(OC(C)=O)c(OCC)c2ccc(N)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 6/20 0.39
LMNA P02545 1/20 0.38
TNF P01375 2/20 0.38
MAPK1 P28482 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RGS12 O14924 1/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
BLM P54132 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
RORA P35398 3/20 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
SCHEMBL7997247 0.96 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2NPC1MAPK1
SCHEMBL8000680 0.96 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2NPC1MAPK1
SCHEMBL8001007 0.94 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL8001304 0.92 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2NPC1MAPK1
SCHEMBL7988302 0.90 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL8076763 0.89 PSEN1 (0.42) KDM4EALDH1A1SMN1; SMN2NPC1MAPK1
SCHEMBL8004658 0.89 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2NPC1MAPK1
SCHEMBL7998638 0.89 PSEN1 (0.42) KDM4EALDH1A1SMN1; SMN2NPC1MAPK1
SCHEMBL8081155 0.89 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2NPC1MAPK1
SCHEMBL7998295 0.89 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2NPC1LMNA

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
US-6114352-A Quinolinone derivative and anti-allergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-09-05 US disclosed
US-5942521-A Quinolinone derivative and anti-allergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-08-24 US disclosed