SCHEMBL28386709

SCHEMBL28386709

COCCOCCOCCOCCOCCOC(=O)N(CCc1ccccc1)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
HTT P42858 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 1/20 0.41
LMNA P02545 3/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ALOX5 P09917 2/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 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
SCHEMBL28380892 1.00 L3MBTL1 (0.45) L3MBTL1HTTMEN1KMT2ATSHR
SCHEMBL28384613 1.00 L3MBTL1 (0.45) L3MBTL1HTTMEN1KMT2ATSHR
SCHEMBL28387157 0.96 L3MBTL1 (0.48) L3MBTL1HTTMEN1KMT2ATSHR
SCHEMBL28388205 0.88 L3MBTL1 (0.44) L3MBTL1HTTMEN1KMT2AKDM4E
SCHEMBL28385257 0.84 MEN1 (0.47) L3MBTL1HTTMEN1KMT2ALMNA
SCHEMBL28384602 0.84 MEN1 (0.47) L3MBTL1HTTMEN1KMT2ALMNA
SCHEMBL28381472 0.82 SCN1A (0.55) L3MBTL1HTTMEN1KMT2ATSHR
SCHEMBL28761848 0.80 L3MBTL1 (0.48) L3MBTL1HTTMEN1KMT2ATSHR
SCHEMBL28385517 0.78 MEN1 (0.47) L3MBTL1HTTMEN1KMT2ALMNA
SCHEMBL28381537 0.77 LTB4R (0.41) L3MBTL1MEN1KMT2ALMNASMN1; SMN2

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