SCHEMBL28705484

SCHEMBL28705484

CC1=Nc2c(cc(C#N)c3ccccc23)C1(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NCOA3 Q9Y6Q9 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
IMPDH2 P12268 3/20 0.35
IMPDH1 P20839 2/20 0.35
TSHR P16473 1/20 0.34
AR P10275 1/20 0.33
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NSD2 O96028 1/20 0.30
HTT P42858 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
STAT3 P40763 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
SCHEMBL10111830 0.76 MEN1 (0.38) MEN1KMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL4255042 0.71 MPL (0.40) MEN1KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL10111810 0.70 LPL (0.33) MEN1KMT2A
SCHEMBL4856328 0.69 MEN1 (0.56) MEN1KMT2ATSHRKDM4EALDH1A1
SCHEMBL13609739 0.69 MEN1 (0.33) MEN1KMT2A
Iodide SCHEMBL29763642 0.68 MEN1 (0.54) MEN1KMT2ATSHRKDM4EALDH1A1
SCHEMBL15895348 0.68 IMPDH2 (0.36) NCOA3IMPDH2IMPDH1TSHRAR
SCHEMBL19978243 0.67 GPR3 (0.39) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL15895263 0.66 NCOA3 (0.35) NCOA3IMPDH2IMPDH1TSHRAR
SCHEMBL7813270 0.65 TSHR (0.46) NCOA3MEN1KMT2AIMPDH2IMPDH1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114874197-A Viscosity fluorescent probe capable of targeting various organelles 郑州大学 2022-08-09 CN claimed
CN-114133387-A Fluorescent probe with viscosity sensing property and capable of targeting multiple organelles 郑州大学 2022-03-04 CN claimed
CN-114874197-A Viscosity fluorescent probe capable of targeting various organelles 郑州大学 2022-08-09 CN disclosed
CN-114133387-A Fluorescent probe with viscosity sensing property and capable of targeting multiple organelles 郑州大学 2022-03-04 CN disclosed