SCHEMBL24409796

SCHEMBL24409796

Cn1nc(CCC(=O)O)nc1-c1ncccn1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
HDAC6 Q9UBN7 3/20 0.38
HSD11B1 P28845 1/20 0.37
KDM4E B2RXH2 1/20 0.37
FFAR4 Q5NUL3 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TDP2 O95551 1/20 0.36
ESR1 P03372 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL24406754 0.83 LMNA (0.46) KDM4EL3MBTL1HSD17B10GAALMNA
SCHEMBL24409726 0.83 L3MBTL1 (0.52) MAPK1HDAC6KDM4EFFAR4NPC1
SCHEMBL24409736 0.79 FFAR4 (0.39) MAPK1HDAC6KDM4EFFAR4NPC1
SCHEMBL24409961 0.77 TBXAS1 (0.45) MAPK1HSD11B1KDM4ERAB9ARXFP1
SCHEMBL23447091 0.76 HDAC6 (0.38) MAPK1HDAC6KDM4EFFAR4NPC1
SCHEMBL23447089 0.74 RXRA (0.41) MAPK1HDAC6KDM4EL3MBTL1HSD17B10
SCHEMBL26938548 0.73 PKM (0.40) HSD11B1KDM4EL3MBTL1RXFP1ALDH1A1
SCHEMBL24409848 0.73 FFAR1 (0.40) MAPK1HDAC6KDM4EFFAR4L3MBTL1
SCHEMBL24409727 0.73 ALDH1A1 (0.39) MAPK1HDAC6KDM4EL3MBTL1GAA
SCHEMBL241757 0.71 ALDH1A1 (0.48) MAPK1HDAC6LMNAALDH1A1

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-2022096449-A1 [(1,5-DIHETEROARYL-1H-1,2,4-TRIAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AS SAFENERS FOR THE PROTECTION OF USEFUL PLANTS AND CROP PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2022-05-12 WO disclosed