SCHEMBL23401520

SCHEMBL23401520

Cc1ccc(-c2c(-c3ccccc3)nn(-c3cccc(C)c3)c2O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.49
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
ALDH1A1 P00352 6/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
MAPT P10636 4/20 0.42
TP53 P04637 2/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
STAT1 P42224 1/20 0.42

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
SCHEMBL23403220 1.00 RPA1 (0.49) RPA1CCNA2CDK2ALDH1A1L3MBTL1
SCHEMBL23403268 0.96 RPA1 (0.52) RPA1ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL23401935 0.96 ALDH1A1 (0.44) RPA1CCNA2CDK2ALDH1A1L3MBTL1
SCHEMBL23402246 0.93 ALDH1A1 (0.48) RPA1CCNA2CDK2ALDH1A1L3MBTL1
SCHEMBL23400863 0.92 NPC1 (0.49) RPA1CCNA2CDK2ALDH1A1L3MBTL1
SCHEMBL23402685 0.92 RPA1 (0.51) RPA1ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL23400859 0.90 CCNA2 (0.52) CCNA2CDK2ALDH1A1NPC1RAB9A
SCHEMBL23400965 0.90 CCNA2 (0.52) CCNA2CDK2ALDH1A1NPC1RAB9A
SCHEMBL23401519 0.89 CCNA2 (0.50) CCNA2CDK2ALDH1A1L3MBTL1NPC1
SCHEMBL23400925 0.88 L3MBTL1 (0.50) RPA1CCNA2CDK2ALDH1A1L3MBTL1

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