SCHEMBL23399712

SCHEMBL23399712

CCc1c(-c2ccccc2)nn(-c2ccc(C)c(C)c2)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.50
CA2 P00918 11/20 0.50
STAT1 P42224 1/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 3/20 0.39
TP53 P04637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GMNN O75496 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
ESR1 P03372 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL23401837 0.90 CA1 (0.48) CA1CA2STAT1MAPK13MAPK12
SCHEMBL23398982 0.90 KMT2A (0.41) CA1CA2MAPK13MAPK12MAPK11
SCHEMBL23400959 0.89 CA1 (0.42) CA1CA2MAPK13MAPK12MAPK11
SCHEMBL23401928 0.89 CA1 (0.47) CA1CA2STAT1MAPK13MAPK12
SCHEMBL23401705 0.86 CA1 (0.46) CA1CA2STAT1MAPK13MAPK12
SCHEMBL23402327 0.86 CA1 (0.41) CA1CA2STAT1MAPK13MAPK12
SCHEMBL23400994 0.85 SMN1; SMN2 (0.44) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL23400820 0.84 KMT2A (0.48) ALDH1A1KMT2ATP53KDM4EGMNN
SCHEMBL23403477 0.84 RPA1 (0.48) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL23401255 0.83 CA1 (0.56) CA1CA2STAT1MAPK13MAPK12

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