SCHEMBL23401377

SCHEMBL23401377

Cc1cccc(-c2nn(C(C)(C)C)cc2O)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 1/20 0.47
SRC P12931 2/20 0.43
ABL1 P00519 1/20 0.43
CNR1 P21554 4/20 0.41
CNR2 P34972 4/20 0.41
IDO1 P14902 2/20 0.40
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
MAPK8 P45983 1/20 0.37
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 0.35
MAPK14 Q16539 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL23400987 0.82 AURKA (0.37) SRCABL1MAPK8LMNAKDM4E
SCHEMBL23399564 0.81 ALDH1A1 (0.38) RIPK2SRCABL1CNR1GABRA1
SCHEMBL23399108 0.80 IDO1 (0.45) RIPK2CNR1CNR2IDO1GABRA1
SCHEMBL23399958 0.79 CNR2 (0.43) RIPK2SRCABL1CNR1CNR2
SCHEMBL23398810 0.77 SRC (0.43) RIPK2SRCABL1CNR1CNR2
SCHEMBL23400164 0.76 TRPM8 (0.41) RIPK2IDO1GABRA1GABRB2LMNA
SCHEMBL23400477 0.76 ALDH1A1 (0.46) LMNAKDM4ENPC1RAB9AL3MBTL1
SCHEMBL23399543 0.75 MEN1 (0.50) CNR1CNR2LMNAKDM4ENPC1
SCHEMBL23400218 0.75 ALDH1A1 (0.54) CNR1CNR2LMNAKDM4ENPC1
SCHEMBL23402971 0.74 TLR8 (0.40) RIPK2IDO1GABRA1GABRB2LMNA

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