SCHEMBL24968449

SCHEMBL24968449

CC(=O)NCc1cn(C(CCC(=O)O)C(=O)O)nn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
PARP14 Q460N5 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALOX15 P16050 1/20 0.36
DGAT1 O75907 4/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
NFKB1 P19838 1/20 0.35
APEX1 P27695 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LGALS3 P17931 2/20 0.35
ALB P02768 1/20 0.34

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
SCHEMBL28277909 0.80 MAOA (0.40) NOTUMDGAT1KDM4EALDH1A1TP53
SCHEMBL28277910 0.80 MAOA (0.40) NOTUMDGAT1KDM4EALDH1A1TP53
SCHEMBL15199190 0.79 TP53 (0.37) ALOX15DGAT1KDM4EALDH1A1TP53
SCHEMBL22736855 0.79 DGAT1 (0.40) DGAT1KDM4EALDH1A1TP53GLA
SCHEMBL18161586 0.78 GABRP (0.40) ALOX15DGAT1KDM4EALDH1A1TP53
SCHEMBL22906161 0.78 NOTUM (0.49) NOTUMPARP14NPSR1ALOX15
SCHEMBL14722019 0.76 DGAT1 (0.38) DGAT1ALDH1A1LGALS3
SCHEMBL18605700 0.70 KMT2A (0.59) NPSR1ALDH1A1POLB
SCHEMBL16579400 0.70 NOTUM (0.52) NOTUMNPSR1ALOX15
SCHEMBL18159138 0.69 MEN1 (0.41) POLBLGALS3ALBFOLH1

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
WO-2023007481-A1 WATER SOLUBLE PRODRUG, CONJUGATES AND USES THEREOF RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2023-02-02 WO disclosed