SCHEMBL23398378

SCHEMBL23398378

Cc1ccc(-c2c(-c3cccc(C)c3)nn(C(C)(C)C)c2O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 4/20 0.52
SRC P12931 4/20 0.48
ABL1 P00519 2/20 0.48
L3MBTL1 Q9Y468 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CNR1 P21554 3/20 0.38
CNR2 P34972 3/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 4/20 0.38
ALDH1A1 P00352 3/20 0.38
CSNK1D P48730 2/20 0.38
MAPK14 Q16539 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PLK4 O00444 1/20 0.38
ROCK2 O75116 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38

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
SCHEMBL23402057 0.93 RIPK2 (0.53) RIPK2SRCABL1L3MBTL1MEN1
SCHEMBL23400142 0.87 HPGD (0.47) RIPK2SRCABL1L3MBTL1MEN1
SCHEMBL23398828 0.87 HPGD (0.47) RIPK2SRCABL1L3MBTL1MEN1
SCHEMBL23399789 0.87 RIPK2 (0.47) RIPK2SRCABL1L3MBTL1MEN1
SCHEMBL23399731 0.83 RIPK2 (0.56) RIPK2SRCABL1L3MBTL1MEN1
SCHEMBL23402246 0.82 ALDH1A1 (0.48) RIPK2L3MBTL1MEN1KMT2AHPGD
SCHEMBL23401101 0.82 L3MBTL1 (0.42) RIPK2L3MBTL1MEN1KMT2AHPGD
SCHEMBL23400863 0.81 NPC1 (0.49) L3MBTL1MEN1KMT2ALMNAALDH1A1
SCHEMBL23401890 0.81 KMT2A (0.51) SRCL3MBTL1MEN1KMT2AHPGD
SCHEMBL23400097 0.79 SMN1; SMN2 (0.49) SRCABL1MEN1KMT2ALMNA

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