SCHEMBL23399587

SCHEMBL23399587

COc1ccc(-n2nc(C(C)(C)C)c(O)c2-c2ccccc2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
HIF1A Q16665 1/20 0.41
HTT P42858 1/20 0.40
RPA1 P27694 1/20 0.39
RIPK2 O43353 1/20 0.39
F10 P00742 3/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ATM Q13315 1/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 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
SCHEMBL23398406 0.88 ATM (0.47) HIF1AMAPK13MAPK12MAPK11MAPK14
SCHEMBL23403375 0.87 NPC1 (0.47) HPGDHIF1AHTTRPA1NPC1
SCHEMBL23402001 0.87 ATM (0.41) HPGDHIF1AHTTRIPK2MAPK13
SCHEMBL23402845 0.84 PTGS2 (0.49) HPGDHTTRPA1MAPK13MAPK12
SCHEMBL23401317 0.83 HPGD (0.42) HPGDHIF1AHTTRPA1F10
SCHEMBL23402956 0.81 PDE4D (0.42) HPGDHIF1AHTTRPA1NPC1
SCHEMBL23401476 0.80 PTGS1 (0.44) HPGDHTTRAB9AALDH1A1LMNA
SCHEMBL23398460 0.80 RIPK2 (0.50) HPGDHTTRPA1RIPK2MAPK13
SCHEMBL23401677 0.80 HTT (0.44) HPGDHIF1AHTTRPA1NPC1
SCHEMBL23401800 0.79 MAPK14 (0.38) HTTRIPK2MAPK13MAPK12MAPK11

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