SCHEMBL5334468

SCHEMBL5334468

On1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cc21

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.82
KDM4E B2RXH2 5/20 0.82
SMN1; SMN2 Q16637 5/20 0.82
NPC1 O15118 4/20 0.82
CYP1A2 P05177 1/20 0.82
GAA P10253 1/20 0.82
CYP2C9 P11712 1/20 0.82
CYP2C19 P33261 1/20 0.82
KMT2A Q03164 5/20 0.71
MEN1 O00255 4/20 0.71
LMNA P02545 3/20 0.71
MAPT P10636 3/20 0.60
POLB P06746 1/20 0.55
HTT P42858 4/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL29588162 0.90 KDM4E (1.00) RAB9AKDM4ESMN1; SMN2NPC1CYP1A2
SCHEMBL3639863 0.90 KDM4E (1.00) RAB9AKDM4ESMN1; SMN2NPC1CYP1A2
Phosphine SCHEMBL15543212 0.89 KDM4E (0.97) RAB9AKDM4ESMN1; SMN2NPC1CYP1A2
SCHEMBL12325283 0.83 KMT2A (1.00) RAB9AKDM4ESMN1; SMN2NPC1CYP1A2
SCHEMBL3639865 0.77 KDM4E (0.77) RAB9AKDM4ESMN1; SMN2NPC1CYP1A2
SCHEMBL8027341 0.74 RAB9A (0.60) RAB9AKDM4ESMN1; SMN2NPC1CYP1A2
SCHEMBL16501702 0.74 NPC1 (0.51) RAB9AKDM4ESMN1; SMN2NPC1CYP1A2
SCHEMBL16509296 0.72 KDM4E (0.50) RAB9AKDM4ESMN1; SMN2NPC1CYP1A2
SCHEMBL16509324 0.72 NPC1 (0.50) RAB9AKDM4ESMN1; SMN2NPC1CYP1A2
SCHEMBL8337851 0.71 POLB (1.00) RAB9AKDM4ESMN1; SMN2NPC1CYP1A2

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-20070148185-A1 Novel therapeutic target for protozoal diseases VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2007-06-28 US claimed
WO-2007047579-A2 A NOVEL THERAPEUTIC TARGET FOR PROTOZOAL DISEASES VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2007-04-26 WO claimed