SCHEMBL23398917

SCHEMBL23398917

CCc1c(O)c(C(C)(C)C)nn1-c1cccc(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 2/20 0.52
MAPK14 Q16539 2/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
ALDH1A1 P00352 2/20 0.41
MAPK9 P45984 1/20 0.41
DDR2 Q16832 1/20 0.41
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
RPA1 P27694 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PRKCZ Q05513 1/20 0.38
CTSK P43235 1/20 0.36
ATM Q13315 1/20 0.36
TP53 P04637 1/20 0.35
NPBWR1 P48145 1/20 0.35
MCHR1 Q99705 1/20 0.35
DHFR P00374 1/20 0.35
APLNR P35414 1/20 0.35

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
SCHEMBL23401654 0.90 RIPK2 (0.50) RIPK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL23398559 0.87 RIPK2 (0.48) RIPK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL23399376 0.86 RIPK2 (0.49) RIPK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL23402183 0.85 ALDH1A1 (0.44) RIPK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL23400318 0.84 NR4A3 (0.43) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL23401145 0.83 RIPK2 (0.56) RIPK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL23403699 0.83 ALDH1A1 (0.49) RIPK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL23402504 0.83 CDK8 (0.41) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL23401789 0.82 RIPK2 (0.55) RIPK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL23399900 0.81 RIPK2 (0.43) RIPK2MAPK14MAPK13MAPK12MAPK11

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