SCHEMBL8004858

SCHEMBL8004858

CCCCn1c(=O)c(O)c(OCC=C(C)C)c2ccc(NC)cc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
KDM4E B2RXH2 4/20 0.37
HPGD P15428 3/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 4/20 0.36
ALDH1A1 P00352 3/20 0.36
RORA P35398 2/20 0.35
RORC P51449 2/20 0.35
RORB Q92753 2/20 0.35
CNR2 P34972 2/20 0.35
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
ACHE P22303 1/20 0.34
CYP1B1 Q16678 1/20 0.34
POLB P06746 1/20 0.34
TYMS P04818 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
SCHEMBL7996990 0.92 NPC1 (0.39) NPC1KDM4EHPGDMEN1KMT2A
SCHEMBL8004493 0.90 NPC1 (0.52) NPC1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL7999322 0.86 ALDH1A1 (0.38) NPC1KDM4EHPGDMEN1KMT2A
SCHEMBL7997667 0.83 NPC1 (0.46) NPC1KDM4EHPGDMEN1KMT2A
SCHEMBL7997663 0.83 NPC1 (0.46) NPC1KDM4EHPGDMEN1KMT2A
SCHEMBL7989437 0.83 ADRA2A (0.44) KDM4EHPGDMEN1KMT2ASMN1; SMN2
SCHEMBL7997313 0.82 ALDH1A1 (0.41) NPC1KDM4EHPGDMEN1KMT2A
SCHEMBL8004176 0.82 MEN1 (0.47) NPC1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL7988429 0.82 TYMS (0.40) KDM4EHPGDMEN1KMT2ASMN1; SMN2
SCHEMBL8001122 0.82 TYMS (0.40) KDM4EHPGDMEN1KMT2ASMN1; SMN2

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 4 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
EP-0785190-B1 Quinolinone derivative and antiallergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK & CHEMICALS (JP) 2000-08-16 EP 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
EP-0785190-A2 Quinolinone derivative and antiallergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 1997-07-23 EP disclosed