SCHEMBL23401255

SCHEMBL23401255

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

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.56
CA2 P00918 11/20 0.56
STAT1 P42224 1/20 0.45
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL23402028 0.95 CA1 (0.52) CA1CA2STAT1MAPK13MAPK12
SCHEMBL23400679 0.95 CA1 (0.52) CA1CA2STAT1MAPK13MAPK12
SCHEMBL23400678 0.91 CA1 (0.51) CA1CA2STAT1MAPK13MAPK12
SCHEMBL23400553 0.91 CA1 (0.51) CA1CA2STAT1MAPK13MAPK12
SCHEMBL23403276 0.88 CA1 (0.50) CA1CA2STAT1MAPK13MAPK12
SCHEMBL23399026 0.88 CA1 (0.44) CA1CA2MAPK13MAPK12MAPK11
SCHEMBL23400054 0.88 CA1 (0.53) CA1CA2STAT1MAPK13MAPK12
SCHEMBL23401460 0.83 CA1 (0.49) CA1CA2STAT1MAPK13MAPK12
SCHEMBL23398623 0.83 MEN1 (0.48) STAT1MEN1KMT2AALDH1A1KDM4E
SCHEMBL5219260 0.82 CA1 (0.64) CA1CA2STAT1MEN1KMT2A

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