SCHEMBL22787577

SCHEMBL22787577

CC(C)(C)OC(=O)NC1c2ccccc2C[C@H]1O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 1/20 0.52
EPHX2 P34913 1/20 0.50
MMP9 P14780 5/20 0.48
MMP1 P03956 4/20 0.48
MMP2 P08253 4/20 0.48
MMP8 P22894 4/20 0.48
NAMPT P43490 1/20 0.46
P2RX7 Q99572 1/20 0.46
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
MAPK1 P28482 1/20 0.43

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
SCHEMBL55573 1.00 MEN1 (0.52) MEN1ALDH1A1KMT2AEPHX2MMP9
SCHEMBL25730272 1.00 MEN1 (0.52) MEN1ALDH1A1KMT2AEPHX2MMP9
SCHEMBL29922190 1.00 MEN1 (0.52) MEN1ALDH1A1KMT2AEPHX2MMP9
SCHEMBL29502115 1.00 MEN1 (0.52) MEN1ALDH1A1KMT2AEPHX2MMP9
SCHEMBL57180 1.00 MEN1 (0.52) MEN1ALDH1A1KMT2AEPHX2MMP9
SCHEMBL5432481 1.00 MEN1 (0.52) MEN1ALDH1A1KMT2AEPHX2MMP9
SCHEMBL56008 1.00 MEN1 (0.52) MEN1ALDH1A1KMT2AEPHX2MMP9
SCHEMBL29381250 1.00 MEN1 (0.52) MEN1ALDH1A1KMT2AEPHX2MMP9
SCHEMBL57241 1.00 MEN1 (0.52) MEN1ALDH1A1KMT2AEPHX2MMP9
SCHEMBL9680488 0.88 EPHX2 (0.47) MEN1ALDH1A1KMT2AEPHX2NAMPT

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-2020249109-A1 TRIAZOLOPYRIMIDINE COMPOUND AND SALT, COMPOSITION AND USE THEREOF 中国科学院上海药物研究所 2020-12-17 WO disclosed