SCHEMBL23398379

SCHEMBL23398379

CCc1c(C)nn(-c2cccc(C)c2)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
RPA1 P27694 1/20 0.41
MAPK14 Q16539 2/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
SPR P35270 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CTSK P43235 1/20 0.39
MAPK9 P45984 1/20 0.39
DDR2 Q16832 1/20 0.39
RIPK2 O43353 1/20 0.39
TP53 P04637 1/20 0.38
NPBWR1 P48145 1/20 0.38

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
SCHEMBL23399687 0.88 ALDH1A1 (0.47) ALDH1A1MAPTLMNAL3MBTL1MAPK1
SCHEMBL23402729 0.87 ALDH1A1 (0.46) ALDH1A1MAPTLMNAL3MBTL1MAPK1
SCHEMBL23402852 0.87 ALDH1A1 (0.44) ALDH1A1MAPTLMNAL3MBTL1MAPK1
SCHEMBL23401169 0.84 ALDH1A1 (0.46) ALDH1A1MAPTLMNAL3MBTL1MAPK1
SCHEMBL23402488 0.84 NPC1 (0.54) ALDH1A1MAPTLMNAMAPK1NPC1
SCHEMBL23402443 0.83 RIPK2 (0.52) ALDH1A1MAPTLMNAL3MBTL1RPA1
SCHEMBL23402721 0.83 ALDH1A1 (0.47) ALDH1A1MAPTLMNAL3MBTL1RPA1
SCHEMBL23400003 0.83 ALDH1A1 (0.41) ALDH1A1MAPTLMNAL3MBTL1RPA1
SCHEMBL23398842 0.83 ALDH1A1 (0.41) ALDH1A1MAPTLMNAL3MBTL1RPA1
SCHEMBL23403628 0.81 ALDH1A1 (0.54) ALDH1A1MAPTLMNAL3MBTL1MAPK1

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