SCHEMBL8333545

SCHEMBL8333545

Cn1ccc(C(=O)NCCNCCN)c(OCc2ccccc2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.43
SPHK2 Q9NRA0 1/20 0.43
BRD4 O60885 4/20 0.41
LIPC P11150 1/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 4/20 0.39
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
SGMS2 Q8NHU3 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL13339884 0.94 SPHK2 (0.48) LIPGSPHK2BRD4LIPCNPC1
SCHEMBL8335413 0.92 BRD4 (0.48) LIPGSPHK2BRD4LIPCNPC1
SCHEMBL6858810 0.86 LIPG (0.47) LIPGBRD4LIPCNPC1RAB9A
SCHEMBL13339929 0.86 LIPG (0.41) LIPGSPHK2BRD4LIPCNPC1
SCHEMBL8892680 0.84 APP (0.45) LIPGLIPCNPC1RAB9AKDM4E
SCHEMBL13367279 0.84 CNR2 (0.39) LIPGLIPCSMN1; SMN2ALDH1A1MEN1
SCHEMBL6864646 0.84 LIPG (0.45) LIPGBRD4LIPCNPC1RAB9A
SCHEMBL8333370 0.82 LIPG (0.47) LIPGBRD4NPC1RAB9AKDM4E
SCHEMBL5557571 0.81 KDM4E (0.43) BRD4NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL13340013 0.80 KLKB1 (0.52) SPHK2BRD4

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-7718781-B2 Hydroxypyridonate and hydroxypyrimidinone chelating agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-05-18 US disclosed
US-5892029-A HIGHLY EFFECTIVE UPON BOTH INJECTION AND ORAL ADMINISTRATION. THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-04-06 US disclosed