SCHEMBL25757922

SCHEMBL25757922

NNC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.33
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
NR1H2 P55055 2/20 0.31
NR1H3 Q13133 2/20 0.31
ABCC9 O60706 1/20 0.31
ABCC8 Q09428 1/20 0.31
KCNJ11 Q14654 1/20 0.31
KCNJ8 Q15842 1/20 0.31
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL21380293 0.83 DGAT1 (0.33) CYP2C9CYP2C19
SCHEMBL21380292 0.83 DGAT1 (0.33) CYP2C9CYP2C19
SCHEMBL21380420 0.83 DGAT1 (0.33) CYP2C9CYP2C19
SCHEMBL3623187 0.80 HDAC8 (0.41) HDAC8HDAC6TSHRCYP2C9CYP2C19
SCHEMBL15541922 0.79 KDM4E (0.38) MITFKMT2ANR1H2NR1H3
SCHEMBL3126066 0.79 KDM4E (0.38) MITFKMT2ANR1H2NR1H3
SCHEMBL30726182 0.79 KDM4E (0.38) MITFKMT2ANR1H2NR1H3
Hydrochloric Acid SCHEMBL15542195 0.78 KDM4E (0.37) MITFKMT2ANR1H2NR1H3
SCHEMBL25250387 0.77 BTK (0.41) MITFTSHRSMN1; SMN2
SCHEMBL21061620 0.77 PI4KB (0.37) HDAC8HDAC6KMT2AABCC9ABCC8

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
WO-2023098880-A1 FUSED RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2023-06-08 WO disclosed