SCHEMBL23401475

SCHEMBL23401475

CCCCc1nn(-c2cccc(C)c2)c(C(C)(C)C)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 1/20 0.41
ALDH1A1 P00352 5/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
MAPK14 Q16539 2/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CTSK P43235 1/20 0.37
MAPK9 P45984 1/20 0.36
DDR2 Q16832 1/20 0.36
TP53 P04637 1/20 0.36
RPA1 P27694 1/20 0.36
KLKB1 P03952 1/20 0.36
PRKCZ Q05513 1/20 0.36
APLNR P35414 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.34
HSD11B1 P28845 1/20 0.34

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
SCHEMBL23400850 0.94 RIPK2 (0.42) RIPK2ALDH1A1LMNAMAPTMAPK14
SCHEMBL23399561 0.88 RIPK2 (0.43) RIPK2ALDH1A1LMNAMAPTMAPK14
SCHEMBL23400920 0.86 LMNA (0.41) RIPK2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL23401007 0.85 PDE4D (0.41) ALDH1A1LMNAL3MBTL1GAA
SCHEMBL23399654 0.85 RIPK2 (0.41) RIPK2ALDH1A1LMNAMAPTMAPK14
SCHEMBL23401957 0.85 ALDH1A1 (0.40) RIPK2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL23400163 0.84 CDK8 (0.36) ALDH1A1LMNAMAPTMAPK14MAPK13
SCHEMBL23403090 0.84 RIPK2 (0.40) RIPK2ALDH1A1LMNAMAPTMAPK14
SCHEMBL23400952 0.84 ALDH1A1 (0.40) RIPK2ALDH1A1LMNAMAPTMAPK14
SCHEMBL23401937 0.84 ALDH1A1 (0.40) RIPK2ALDH1A1LMNAMAPTSMN1; SMN2

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