SCHEMBL7874799

SCHEMBL7874799

CC(C)(C)Cc1cccc(-n2nc3ccc(Cl)cc3n2)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
KDM4E B2RXH2 4/20 0.36
MAPT P10636 4/20 0.36
ATM Q13315 2/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TP53 P04637 2/20 0.36
APAF1 O14727 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.33
MITF O75030 1/20 0.32
KLF5 Q13887 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL9869340 0.88 GABRA1 (0.42) NPC1RAB9AKDM4EMAPTATM
SCHEMBL5440579 0.85 NPC1 (0.42) NPC1RAB9AKDM4EMAPTATM
SCHEMBL2589686 0.81 ADORA3 (0.39) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL30426108 0.81 CA2 (0.42) NPC1RAB9AKDM4EMAPTATM
SCHEMBL1767326 0.81 CA2 (0.42) NPC1RAB9AKDM4EMAPTATM
SCHEMBL31155592 0.80 NPC1 (0.51) NPC1RAB9AKDM4EMAPTATM
SCHEMBL10873172 0.79 NPC1 (0.48) NPC1RAB9AKDM4EMAPTATM
Propanol SCHEMBL6572947 0.77 NPC1 (0.37) NPC1RAB9AKDM4EMAPTATM
SCHEMBL28861009 0.76 NPC1 (0.40) NPC1RAB9AKDM4EMAPTATM
SCHEMBL19884685 0.76 NPC1 (0.38) NPC1RAB9AKDM4EMAPTATM

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-20190248979-A1 Ethylene Polymer, Stretched Molded Article and Microporous Membrane ASAHI KASEI KABUSHIKI KAISHA (JP) 2019-08-15 US disclosed
EP-1084191-A2 HOLLOW MOLDED PRODUCT COMPRISING ETHYLENE-2,6-NAPHTHALENE DICARBOXYLATE POLYMER AND ULTRAVIOLET ABSORBER AND PRODUCTION PROCESS THEREFOR TEIJIN LIMITED (JP) 2001-03-21 EP disclosed
WO-2000055255-A2 HOLLOW MOLDED PRODUCT COMPRISING ETHYLENE-2,6-NAPHTHALENE DICARBOXYLATE POLYMER AND ULTRAVIOLET ABSORBER AND PRODUCTION PROCESS THEREFOR TEIJIN LIMITED (JP) 2000-09-21 WO disclosed