SCHEMBL8004496

SCHEMBL8004496

CC=C(CC)Oc1c(O)c(=O)n(CCCC)c2cc(NC(C)=O)ccc12

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
KDM4E B2RXH2 2/20 0.41
RGS12 O14924 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
TYMS P04818 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 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
SCHEMBL8074569 0.86 NPC1 (0.47) NPC1MEN1KMT2AKDM4ERGS12
SCHEMBL8076775 0.86 NPC1 (0.47) NPC1MEN1KMT2AKDM4ERGS12
SCHEMBL7997204 0.86 NPC1 (0.57) NPC1MEN1KMT2AKDM4ERGS12
SCHEMBL8001310 0.85 NPC1 (0.46) NPC1MEN1KMT2AKDM4ERGS12
SCHEMBL7999762 0.85 NPC1 (0.56) NPC1MEN1KMT2AKDM4ERGS12
SCHEMBL8004179 0.85 MEN1 (0.47) MEN1KMT2ASMN1; SMN2TYMSLMNA
SCHEMBL8081180 0.84 NPC1 (0.46) NPC1MEN1KMT2AKDM4ERGS12
SCHEMBL8004045 0.84 NPC1 (0.45) NPC1MEN1KMT2AKDM4ERGS12
SCHEMBL8004668 0.83 NPC1 (0.54) NPC1MEN1KMT2AKDM4ERGS12
SCHEMBL7999324 0.83 ALDH1A1 (0.38) NPC1MEN1KMT2AKDM4ERGS12

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 3 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