SCHEMBL23400243

SCHEMBL23400243

Cc1ccc(-n2ncc(O)c2-c2cccc(C)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
TP53 P04637 3/20 0.50
MAPT P10636 2/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
NR3C1 P04150 1/20 0.47
HIF1A Q16665 1/20 0.43
HPGD P15428 2/20 0.43
PPARG P37231 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 1/20 0.41
THRB P10828 1/20 0.40
PTGS2 P35354 3/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 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
SCHEMBL23401560 0.91 NPC1 (0.58) L3MBTL1KMT2AMEN1TP53MAPT
SCHEMBL23399389 0.90 ALDH1A1 (0.51) L3MBTL1KMT2AMEN1TP53MAPT
SCHEMBL23401785 0.88 MAPT (0.48) L3MBTL1KMT2AMEN1TP53MAPT
SCHEMBL23399782 0.86 PTGS2 (0.52) KMT2ATP53MAPTNPC1RAB9A
SCHEMBL23403218 0.85 NPC1 (0.46) L3MBTL1KMT2AMEN1TP53MAPT
SCHEMBL23398906 0.84 PTGS2 (0.50) L3MBTL1KMT2AMEN1TP53MAPT
SCHEMBL23403620 0.82 NPC1 (0.51) L3MBTL1KMT2AMEN1TP53MAPT
SCHEMBL23402733 0.80 NPC1 (0.55) KMT2ATP53MAPTNPC1RAB9A
SCHEMBL23400911 0.80 NPC1 (0.43) KMT2ATP53MAPTNPC1RAB9A
SCHEMBL23400529 0.78 PRMT5 (0.43) L3MBTL1KMT2AMAPTNPC1RAB9A

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