SCHEMBL29274236

SCHEMBL29274236

CC1(CN2C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCN3c3ncc(C(F)(F)F)cc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 7/20 0.42
MDM2 Q00987 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC8 Q9BY41 1/20 0.38
CBLB Q13191 1/20 0.37
TACR1 P25103 1/20 0.36
GPR119 Q8TDV5 3/20 0.36
CXCR3 P49682 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL30729645 0.90 TIPARP (0.45) TIPARPMDM2MEN1KMT2AHDAC6
SCHEMBL29088864 0.90 TIPARP (0.45) TIPARPMDM2MEN1KMT2AHDAC6
SCHEMBL29274224 0.89 TIPARP (0.40) TIPARPMDM2MEN1KMT2AHDAC6
SCHEMBL26959307 0.87 TIPARP (0.45) TIPARPMDM2MEN1KMT2AHDAC6
SCHEMBL30729634 0.87 TIPARP (0.45) TIPARPMDM2MEN1KMT2AHDAC6
SCHEMBL29274209 0.86 TIPARP (0.44) TIPARPMDM2MEN1KMT2AHDAC6
SCHEMBL30729636 0.84 TIPARP (0.45) TIPARPMDM2MEN1KMT2AHDAC6
SCHEMBL29088955 0.84 TIPARP (0.45) TIPARPMDM2MEN1KMT2AHDAC6
SCHEMBL24640746 0.84 TIPARP (0.53) TIPARPMDM2MEN1KMT2AHDAC6
SCHEMBL29841826 0.84 TIPARP (0.53) TIPARPMDM2MEN1KMT2AHDAC6

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-117083274-A Fused ring heterocyclic derivative and application thereof in medicine 四川海思科制药有限公司 2023-11-17 CN disclosed