SCHEMBL23401460

SCHEMBL23401460

Cc1ccc(-n2nc(-c3ccccc3)c(C(C)C)c2O)cc1C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.49
CA2 P00918 11/20 0.49
STAT1 P42224 1/20 0.41
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RECQL P46063 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE1C Q14123 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL23403389 0.90 CA1 (0.38) CA1CA2STAT1MAPK13MAPK12
SCHEMBL23402047 0.89 CA1 (0.41) CA1CA2MAPK13MAPK12MAPK11
SCHEMBL23401454 0.86 MEN1 (0.41) CA1CA2STAT1MAPK13MAPK12
SCHEMBL23403420 0.85 LMNA (0.44) STAT1MEN1KMT2ARECQLALDH1A1
SCHEMBL23402180 0.84 MEN1 (0.48) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL23403482 0.84 RPA1 (0.48) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL23400054 0.83 CA1 (0.53) CA1CA2STAT1MAPK13MAPK12
SCHEMBL23401255 0.83 CA1 (0.56) CA1CA2STAT1MAPK13MAPK12
SCHEMBL23400327 0.80 CYP1A2 (0.47) CA1CA2STAT1MAPK13MAPK12
SCHEMBL23400718 0.80 CCNA2 (0.46) STAT1MEN1KMT2AALDH1A1

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