SCHEMBL21394898

SCHEMBL21394898

CC(C)(C)OC(=O)Nc1ncc(C(O)c2cccc(F)c2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.45
CCNE1 P24864 5/20 0.43
CDK2 P24941 5/20 0.43
CDK5 Q00535 5/20 0.43
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
LCK P06239 4/20 0.40
P2RY2 P41231 1/20 0.38
SYK P43405 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
S1PR3 Q99500 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
SCHEMBL29356596 1.00 SCD (0.45) SCDCCNE1CDK2CDK5PSEN1
SCHEMBL21395247 0.89 PSEN1 (0.48) CCNE1CDK2CDK5PSEN1PSEN2
SCHEMBL21394890 0.87 S1PR3 (0.46) SCDCCNE1CDK2CDK5LCK
SCHEMBL29358752 0.87 S1PR3 (0.46) SCDCCNE1CDK2CDK5LCK
SCHEMBL21395005 0.86 CCNE1 (0.47) SCDCCNE1CDK2CDK5LCK
SCHEMBL29357987 0.86 CCNE1 (0.47) SCDCCNE1CDK2CDK5LCK
SCHEMBL21394896 0.86 P2RY2 (0.42) SCDCCNE1CDK2CDK5PSEN1
SCHEMBL21395300 0.85 PSEN1 (0.45) CCNE1CDK2CDK5PSEN1PSEN2
SCHEMBL21395055 0.84 PSEN1 (0.42) SCDCCNE1CDK2CDK5PSEN1
SCHEMBL5025975 0.83 KDM4E (0.42) CCNE1CDK2CDK5PSEN1PSEN2

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
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed