SCHEMBL23401495

SCHEMBL23401495

Cc1cccc(-n2nc(C)c(C(C)C)c2O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MAPT P10636 4/20 0.46
LMNA P02545 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
KCNJ6 P48051 1/20 0.41
KCNJ5 P48544 1/20 0.41
KCNJ3 P48549 1/20 0.41
PLK1 P53350 1/20 0.41
RPA1 P27694 1/20 0.41
SPR P35270 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RIPK2 O43353 1/20 0.39
TP53 P04637 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
NPBWR1 P48145 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
SCHEMBL23400546 0.87 ALDH1A1 (0.44) ALDH1A1MAPTLMNAL3MBTL1MAPK1
SCHEMBL23399794 0.84 LMNA (0.52) ALDH1A1MAPTLMNAMAPK1NPSR1
SCHEMBL23400286 0.83 ALDH1A1 (0.47) ALDH1A1LMNAL3MBTL1KCNJ6KCNJ5
SCHEMBL23401985 0.83 ALDH1A1 (0.41) ALDH1A1MAPTLMNAL3MBTL1MAPK1
SCHEMBL23401504 0.82 ALDH1A1 (0.40) ALDH1A1MAPTLMNAL3MBTL1KCNJ6
SCHEMBL23403482 0.82 RPA1 (0.48) ALDH1A1MAPTLMNAL3MBTL1KCNJ6
SCHEMBL23399286 0.82 ALDH1A1 (0.40) ALDH1A1MAPTLMNAL3MBTL1MAPK1
SCHEMBL23403628 0.81 ALDH1A1 (0.54) ALDH1A1MAPTLMNAL3MBTL1MAPK1
SCHEMBL23399583 0.81 LMNA (0.43) ALDH1A1MAPTLMNAL3MBTL1KCNJ6
SCHEMBL23400327 0.80 CYP1A2 (0.47) ALDH1A1MAPTLMNAMAPK1MAPK13

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