SCHEMBL5331480

SCHEMBL5331480

Cn1ncc(-c2nc(-c3ccc(Cl)cc3)cs2)c1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.51
KDM4E B2RXH2 3/20 0.51
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP19A1 P11511 2/20 0.49
LTA4H P09960 1/20 0.47
NPC1 O15118 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PLAU P00749 3/20 0.45
C1S P09871 1/20 0.45
ALDH1A1 P00352 3/20 0.44
POLB P06746 2/20 0.44
SREBF2 Q12772 1/20 0.43
MAPT P10636 3/20 0.43
ATM Q13315 1/20 0.43
MAPK1 P28482 1/20 0.43
VCP P55072 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42

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
SCHEMBL12989543 0.79 RAB9A (0.57) RAB9AKDM4ELMNASMN1; SMN2NPC1
SCHEMBL11466217 0.74 KDM4E (0.86) RAB9AKDM4ELMNASMN1; SMN2CYP19A1
SCHEMBL430121 0.70 LTA4H (0.83) RAB9AKDM4ELMNASMN1; SMN2CYP19A1
SCHEMBL28522859 0.70 RAB9A (0.73) RAB9AKDM4ELMNASMN1; SMN2CYP19A1
SCHEMBL3814593 0.69 KDM4E (0.66) RAB9AKDM4ELMNASMN1; SMN2CYP19A1
Bromide SCHEMBL8360642 0.69 LTA4H (0.80) RAB9AKDM4ELMNASMN1; SMN2CYP19A1
SCHEMBL3813712 0.69 KDM4E (0.69) RAB9AKDM4ELMNASMN1; SMN2CYP19A1
SCHEMBL15689161 0.68 RAB9A (0.65) RAB9AKDM4ELMNASMN1; SMN2CYP19A1
SCHEMBL4283884 0.68 KDM4E (1.00) RAB9AKDM4ELMNASMN1; SMN2CYP19A1
SCHEMBL4281217 0.68 RAB9A (0.75) RAB9AKDM4ELMNASMN1; SMN2CYP19A1

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