SCHEMBL28388205

SCHEMBL28388205

CC(C)(C)N(CCc1ccccc1)C(=O)OCCOCCF

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.38
MLYCD O95822 1/20 0.37
ALOX5 P09917 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL28384602 0.93 MEN1 (0.47) L3MBTL1MEN1HTTKMT2ATDP1
SCHEMBL28384613 0.88 L3MBTL1 (0.45) L3MBTL1MEN1HTTKMT2ATDP1
SCHEMBL28386709 0.88 L3MBTL1 (0.45) L3MBTL1MEN1HTTKMT2ATDP1
SCHEMBL28380892 0.88 L3MBTL1 (0.45) L3MBTL1MEN1HTTKMT2ATDP1
SCHEMBL28387157 0.84 L3MBTL1 (0.48) L3MBTL1MEN1HTTKMT2ATDP1
SCHEMBL28385257 0.83 MEN1 (0.47) L3MBTL1MEN1HTTKMT2ATDP1
SCHEMBL28761848 0.81 L3MBTL1 (0.48) L3MBTL1MEN1HTTKMT2ATDP1
SCHEMBL28381472 0.81 SCN1A (0.55) L3MBTL1MEN1HTTKMT2AKDM4E
SCHEMBL28385517 0.80 MEN1 (0.47) L3MBTL1MEN1HTTKMT2ATDP1
SCHEMBL27741121 0.78 KMT2A (0.45) L3MBTL1MEN1HTTKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111051309-B Triazolotriazine derivatives useful as A2A receptor antagonists 浙江春禾医药科技有限公司 2023-05-26 CN disclosed
CN-111051309-A Triazolotriazine derivatives useful as A2A receptor antagonists 浙江春禾医药科技有限公司 2020-04-21 CN disclosed