SCHEMBL23399412

SCHEMBL23399412

COc1ccc(-n2nc(O)cc2-c2ccccc2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.51
PTGS1 P23219 2/20 0.44
PTGS2 P35354 2/20 0.44
LMNA P02545 1/20 0.43
FABP3 P05413 2/20 0.43
FABP4 P15090 1/20 0.43
MARS1 P56192 1/20 0.42
HPGD P15428 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HIF1A Q16665 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CCKAR P32238 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL23399397 0.86 KMT2A (0.53) PTGS1PTGS2LMNAFABP3FABP4
SCHEMBL23402508 0.86 FABP3 (0.51) RPA1PTGS1PTGS2LMNAFABP3
SCHEMBL23399947 0.82 RPA1 (0.69) RPA1PTGS1PTGS2FABP3FABP4
SCHEMBL28190687 0.79 RPA1 (0.61) RPA1PTGS1PTGS2LMNAFABP3
SCHEMBL23402387 0.78 RPA1 (0.51) RPA1PTGS1PTGS2LMNAFABP3
SCHEMBL23400343 0.77 RPA1 (0.53) RPA1PTGS1PTGS2LMNAL3MBTL1
SCHEMBL23403109 0.77 ALDH1A1 (0.49) PTGS1PTGS2LMNAFABP3HPGD
SCHEMBL13352388 0.77 RPA1 (0.42) RPA1PTGS1PTGS2LMNAFABP3
SCHEMBL23401297 0.76 LMNA (0.53) RPA1PTGS1PTGS2LMNAKDM4E
SCHEMBL23403375 0.76 NPC1 (0.47) RPA1LMNAHPGDKDM4EHIF1A

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