SCHEMBL29088955

SCHEMBL29088955

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 10/20 0.45
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MDM2 Q00987 2/20 0.38
HDAC6 Q9UBN7 2/20 0.37
HDAC8 Q9BY41 1/20 0.37
CBLB Q13191 1/20 0.36
MAPT P10636 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL30729636 1.00 TIPARP (0.45) TIPARPMEN1KMT2AMDM2HDAC6
SCHEMBL30729634 0.90 TIPARP (0.45) TIPARPMEN1KMT2AMDM2HDAC6
SCHEMBL26914985 0.90 TIPARP (0.47) TIPARPMEN1KMT2AMDM2CBLB
SCHEMBL26959307 0.90 TIPARP (0.45) TIPARPMEN1KMT2AMDM2HDAC6
SCHEMBL29841833 0.90 TIPARP (0.47) TIPARPMEN1KMT2AMDM2CBLB
SCHEMBL29088864 0.90 TIPARP (0.45) TIPARPMEN1KMT2AMDM2HDAC6
SCHEMBL30729645 0.90 TIPARP (0.45) TIPARPMEN1KMT2AMDM2HDAC6
SCHEMBL29274209 0.85 TIPARP (0.44) TIPARPMEN1KMT2AMDM2HDAC6
SCHEMBL24640746 0.85 TIPARP (0.53) TIPARPMEN1KMT2AMDM2HDAC6
SCHEMBL29841826 0.85 TIPARP (0.53) TIPARPMEN1KMT2AMDM2HDAC6

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
CN-116724044-A Tri-heterocyclic compound, preparation method and application thereof 上海湃隆生物科技有限公司 2023-09-08 CN disclosed