SCHEMBL23399111

SCHEMBL23399111

CCc1c(-c2cccc(C)c2)nn(C(C)(C)C)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 2/20 0.52
SRC P12931 2/20 0.48
ABL1 P00519 1/20 0.48
MAPK14 Q16539 3/20 0.37
DPP4 P27487 1/20 0.36
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 2/20 0.36
GLA P06280 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
LMNA P02545 1/20 0.36
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HEXA P06865 1/20 0.35
HEXB P07686 1/20 0.35
NPC1 O15118 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
SCHEMBL23401367 0.90 RIPK2 (0.53) RIPK2SRCABL1DPP4ALDH1A1
SCHEMBL23399530 0.88 RIPK2 (0.49) RIPK2SRCABL1DPP4ALDH1A1
SCHEMBL23402568 0.86 RIPK2 (0.49) RIPK2SRCABL1DPP4ALDH1A1
SCHEMBL23402102 0.84 SRC (0.43) SRCABL1ALDH1A1MEN1HPGD
SCHEMBL23399731 0.83 RIPK2 (0.56) RIPK2SRCABL1MAPK14ALDH1A1
SCHEMBL23400269 0.83 LMNA (0.44) RIPK2SRCABL1MAPK14ALDH1A1
SCHEMBL23402944 0.82 SMN1; SMN2 (0.39) RIPK2MAPK14DPP4TRPM8LMNA
SCHEMBL23402721 0.81 ALDH1A1 (0.47) RIPK2MAPK14DPP4ALDH1A1MEN1
SCHEMBL23398426 0.81 RIPK2 (0.54) RIPK2SRCABL1MAPK14ALDH1A1
SCHEMBL23400837 0.81 L3MBTL1 (0.39) RIPK2MAPK14DPP4MEN1KMT2A

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