SCHEMBL23399702

SCHEMBL23399702

Cc1ccc(-n2nc(C(C)(C)C)c(CC(C)C)c2O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.37
CDK8 P49336 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
PTK2 Q05397 4/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL23400608 0.87 ATM (0.40) MAPK14CNR1CNR2MAPK13MAPK12
SCHEMBL23399032 0.84 RIPK2 (0.49) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL23403150 0.84 MAPK14 (0.42) MAPK14CDK8CNR1CNR2MAPK13
SCHEMBL23401216 0.82 RAB9A (0.40) ALDH1A1KDM4EGAALMNAHTT
SCHEMBL23399895 0.82 CYP2C9 (0.41) MAPK14CDK8CNR1CNR2MAPK13
SCHEMBL23403081 0.81 KDM4E (0.38) ALDH1A1KDM4EGAALMNAHTT
SCHEMBL23401717 0.81 MAPK14 (0.37) MAPK14CDK8CNR1CNR2MAPK13
SCHEMBL23401356 0.81 CACNA1H (0.36) MAPK14CDK8CNR1CNR2MAPK13
SCHEMBL23399490 0.80 PPARA (0.35) ALDH1A1KDM4EGAALMNAHTT
SCHEMBL23401550 0.77 MAPK14 (0.43) MAPK14CDK8CNR1CNR2MAPK13

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed