SCHEMBL30658111

SCHEMBL30658111

CC(C)(C)OC(=O)N1CCN2c3ncc(C(F)(F)F)cc3SC[C@@H]2C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC6 Q9UBN7 2/20 0.40
HDAC8 Q9BY41 1/20 0.40
GPR119 Q8TDV5 7/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
STS P08842 1/20 0.38
LMNA P02545 1/20 0.38
TIPARP Q7Z3E1 4/20 0.37
USP30 Q70CQ3 1/20 0.36

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
SCHEMBL30658112 1.00 MEN1 (0.41) MEN1KMT2AHDAC6HDAC8GPR119
SCHEMBL24675338 1.00 MEN1 (0.41) MEN1KMT2AHDAC6HDAC8GPR119
SCHEMBL24640560 0.90 MEN1 (0.40) MEN1KMT2AHDAC6HDAC8GPR119
SCHEMBL29274223 0.85 MDM2 (0.41) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL30719996 0.85 MEN1 (0.43) MEN1KMT2AHDAC6HDAC8GPR119
SCHEMBL29088953 0.82 MEN1 (0.43) MEN1KMT2AHDAC6HDAC8GPR119
SCHEMBL24640582 0.82 HDAC6 (0.42) MEN1KMT2AHDAC6HDAC8GPR119
SCHEMBL29841730 0.82 MEN1 (0.43) MEN1KMT2AHDAC6HDAC8GPR119
SCHEMBL30729648 0.82 MEN1 (0.43) MEN1KMT2AHDAC6HDAC8GPR119
SCHEMBL24763586 0.81 TIPARP (0.53) HDAC6HDAC8TIPARP

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