SCHEMBL9417192

SCHEMBL9417192

CC=C(O)C(=O)OCCCOc1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
POLB P06746 3/20 0.34
PPARA Q07869 2/20 0.33
PPARG P37231 1/20 0.33
F2R P25116 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.32
PIN1 Q13526 2/20 0.31
TNFRSF1A P19438 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
GAA P10253 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
SCHEMBL9417231 0.92 NPC1 (0.35) NPC1RAB9AKDM4EALDH1A1TDP1
SCHEMBL9467307 0.90 KDM4E (0.34) KDM4EALDH1A1TDP1MAPTPPARA
SCHEMBL19252768 0.88 TDP1 (0.39) NPC1RAB9AKDM4EALDH1A1TDP1
SCHEMBL6902553 0.87 ALOX5 (0.38) NPC1RAB9AKDM4EALDH1A1TDP1
SCHEMBL9417139 0.83 NPC1 (0.45) NPC1RAB9AKDM4EALDH1A1TDP1
SCHEMBL21586965 0.82 NPC1 (0.40) NPC1RAB9AKDM4EALDH1A1TDP1
SCHEMBL6379811 0.81 THRB (0.47) NPC1RAB9AKDM4EALDH1A1TDP1
SCHEMBL11136454 0.81 NPC1 (0.41) NPC1RAB9AKDM4EALDH1A1TDP1
SCHEMBL107635 0.81 POLB (0.36) TDP1POLB
SCHEMBL11441445 0.80 NPC1 (0.39) NPC1RAB9AKDM4EPOLBF2R

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
EP-0475149-B1 Coating composition and resin article coated thereby NIPPON ARC CO LTD (JP) 1994-11-09 EP disclosed
US-5250359-A Weather resistant, abrasion resistant undercoatings NIPPON ARC CO., LTD. (JP) 1993-10-05 US disclosed