SCHEMBL23399792

SCHEMBL23399792

Cc1ccc(-n2nc(O)c(C)c2C(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.41
MAPK14 Q16539 5/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPK13 O15264 2/20 0.37
MAPK12 P53778 2/20 0.37
MAPK11 Q15759 2/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
DDR2 Q16832 1/20 0.36
MAPT P10636 2/20 0.36
CYP2C9 P11712 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL23401261 0.86 ALDH1A1 (0.43) MAPK14ALDH1A1MAPK13MAPK12MAPK11
SCHEMBL23402891 0.85 CDK8 (0.43) CDK8MAPK14ALDH1A1MAPK13MAPK12
SCHEMBL23399107 0.82 SMN1; SMN2 (0.40) CDK8MAPK14ALDH1A1MAPK13MAPK12
SCHEMBL23398490 0.81 CDK8 (0.41) CDK8MAPK14ALDH1A1MAPK13MAPK12
SCHEMBL23398512 0.81 RIPK2 (0.47) MAPK14ALDH1A1MAPK13MAPK12MAPK11
SCHEMBL23399505 0.79 ALDH1A1 (0.49) CDK8MAPK14ALDH1A1MAPK13MAPK12
SCHEMBL23399379 0.79 USP2 (0.41) CDK8MAPK14ALDH1A1MAPK13MAPK12
SCHEMBL23402819 0.79 SMN1; SMN2 (0.42) CDK8MAPK14ALDH1A1MAPK13MAPK12
SCHEMBL23399299 0.78 ALDH1A1 (0.43) ALDH1A1MAPTCYP2C9MEN1NPC1
SCHEMBL23399750 0.78 CDK8 (0.40) CDK8MAPK14ALDH1A1MAPK13MAPK12

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