SCHEMBL8892680

SCHEMBL8892680

Cn1ccc(C(=O)NCCCN(CCCNC(=O)c2ccn(C)c(=O)c2OCc2ccccc2)CCCNC(=O)c2ccn(C)c(=O)c2OCc2ccccc2)c(OCc2ccccc2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.45
LIPG Q9Y5X9 2/20 0.43
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LIPC P11150 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
THRB P10828 1/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 4/20 0.41
GAA P10253 3/20 0.41
HSD17B10 Q99714 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GLA P06280 2/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL6864646 0.94 LIPG (0.45) LIPGALDH1A1MEN1KMT2ALIPC
SCHEMBL13339929 0.89 LIPG (0.41) LIPGALDH1A1MEN1KMT2ALIPC
SCHEMBL8335413 0.88 BRD4 (0.48) LIPGALDH1A1MEN1KMT2ALIPC
SCHEMBL6858810 0.87 LIPG (0.47) LIPGALDH1A1MEN1KMT2ALIPC
SCHEMBL13339884 0.86 SPHK2 (0.48) LIPGALDH1A1MEN1KMT2ALIPC
SCHEMBL15104859 0.85 LIPG (0.39) LIPGALDH1A1MEN1KMT2AKDM4E
SCHEMBL8333545 0.84 LIPG (0.43) LIPGALDH1A1MEN1KMT2ALIPC
SCHEMBL8333370 0.83 LIPG (0.47) LIPGALDH1A1MEN1KMT2AKDM4E
SCHEMBL21802399 0.82 HDAC1 (0.37) APPLIPGALDH1A1MEN1KMT2A
SCHEMBL12356363 0.82 KMT2A (0.40) LIPGMEN1KMT2AGAASMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5624901-A CARBAMOYL SUBSTITUTED COMPOUNDS FOR CHELATE COMPOUNDS FOR MAGNETIC RESONANCE IMAGING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-04-29 US disclosed