SCHEMBL30658100

SCHEMBL30658100

CC(C)(C)OC(=O)N1CCN2c3ncc(C(F)(F)F)cc3S(=O)(=O)C[C@@H]2C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 2/20 0.41
HDAC6 Q9UBN7 2/20 0.40
HDAC8 Q9BY41 1/20 0.40
GPR119 Q8TDV5 6/20 0.38
MAPT P10636 2/20 0.37
NR3C1 P04150 1/20 0.37
MDM2 Q00987 1/20 0.37
TACR1 P25103 1/20 0.37
STS P08842 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TIPARP Q7Z3E1 1/20 0.37

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
SCHEMBL30658119 1.00 MEN1 (0.42) MEN1KMT2ASMN1; SMN2LMNAHDAC6
SCHEMBL24675336 1.00 MEN1 (0.42) MEN1KMT2ASMN1; SMN2LMNAHDAC6
SCHEMBL30719996 0.84 MEN1 (0.43) MEN1KMT2ASMN1; SMN2LMNAHDAC6
SCHEMBL30729648 0.81 MEN1 (0.43) MEN1KMT2ASMN1; SMN2LMNAHDAC6
SCHEMBL24640582 0.81 HDAC6 (0.42) MEN1KMT2ASMN1; SMN2LMNAHDAC6
SCHEMBL30658111 0.81 MEN1 (0.41) MEN1KMT2ASMN1; SMN2LMNAHDAC6
SCHEMBL24675338 0.81 MEN1 (0.41) MEN1KMT2ASMN1; SMN2LMNAHDAC6
SCHEMBL29088953 0.81 MEN1 (0.43) MEN1KMT2ASMN1; SMN2LMNAHDAC6
SCHEMBL29841730 0.81 MEN1 (0.43) MEN1KMT2ASMN1; SMN2LMNAHDAC6
SCHEMBL30658112 0.81 MEN1 (0.41) MEN1KMT2ASMN1; SMN2LMNAHDAC6

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