SCHEMBL26914985

SCHEMBL26914985

CC(=O)OCCN1C(=O)[C@@H]2CN(C(=O)O)CCN2c2ncc(C(F)(F)F)cc21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 11/20 0.47
MDM2 Q00987 2/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CBLB Q13191 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PARP2 Q9UGN5 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 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
SCHEMBL29841833 1.00 TIPARP (0.47) TIPARPMDM2MEN1KMT2ACBLB
SCHEMBL29088955 0.90 TIPARP (0.45) TIPARPMDM2MEN1KMT2ACBLB
SCHEMBL30729636 0.90 TIPARP (0.45) TIPARPMDM2MEN1KMT2ACBLB
SCHEMBL26914973 0.87 MDM2 (0.45) TIPARPMDM2MEN1KMT2ACBLB
SCHEMBL29841777 0.87 MDM2 (0.45) TIPARPMDM2MEN1KMT2ACBLB
SCHEMBL26915002 0.87 MDM2 (0.47) TIPARPMDM2MEN1KMT2ACBLB
SCHEMBL29841799 0.87 MDM2 (0.47) TIPARPMDM2MEN1KMT2ACBLB
SCHEMBL29274202 0.83 TIPARP (0.47) TIPARPMDM2MEN1KMT2ACBLB
SCHEMBL29841857 0.83 TIPARP (0.55) TIPARPMDM2MEN1KMT2ACBLB
SCHEMBL26915091 0.83 TIPARP (0.55) TIPARPMDM2MEN1KMT2ACBLB

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
EP-4289845-A1 TRIHETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Shanghai Apeiron Therapeutics Company Limited (CN) 2023-12-13 EP disclosed