SCHEMBL23401504

SCHEMBL23401504

Cc1ccc(-c2nn(-c3cccc(C)c3)c(O)c2C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
RPA1 P27694 1/20 0.40
KCNJ6 P48051 2/20 0.39
KCNJ5 P48544 2/20 0.39
KCNJ3 P48549 2/20 0.39
MAPK14 Q16539 2/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36

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
SCHEMBL23403482 0.92 RPA1 (0.48) ALDH1A1L3MBTL1RPA1KCNJ6KCNJ5
SCHEMBL23400286 0.91 ALDH1A1 (0.47) ALDH1A1L3MBTL1RPA1KCNJ6KCNJ5
SCHEMBL23400718 0.88 CCNA2 (0.46) ALDH1A1KCNJ6KCNJ5KCNJ3MEN1
SCHEMBL23401908 0.87 L3MBTL1 (0.48) ALDH1A1L3MBTL1KCNJ6KCNJ5KCNJ3
SCHEMBL23399456 0.86 PTGS2 (0.40) ALDH1A1L3MBTL1KCNJ6KCNJ5KCNJ3
SCHEMBL23400532 0.84 NPC1 (0.48) ALDH1A1L3MBTL1RPA1KCNJ6KCNJ5
SCHEMBL23403389 0.84 CA1 (0.38) ALDH1A1MAPK14MAPK13MAPK12MAPK11
SCHEMBL23398633 0.83 ALDH1A1 (0.44) ALDH1A1L3MBTL1RPA1MAPK14MAPK13
SCHEMBL23401935 0.83 ALDH1A1 (0.44) ALDH1A1L3MBTL1RPA1MAPK14MAPK13
SCHEMBL23401495 0.82 ALDH1A1 (0.49) ALDH1A1L3MBTL1RPA1KCNJ6KCNJ5

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