SCHEMBL23399208

SCHEMBL23399208

Cc1ccc(-c2nn(-c3ccc(C)cc3)c(-c3cccc(C)c3)c2O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
MEN1 O00255 2/20 0.50
ESR1 P03372 2/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
NFKB1 P19838 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
TP53 P04637 3/20 0.40
MAPT P10636 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 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
SCHEMBL23402862 0.96 KMT2A (0.49) KMT2AL3MBTL1MEN1ESR1NPC1
SCHEMBL23400235 0.95 NPC1 (0.48) KMT2AL3MBTL1MEN1NPC1RAB9A
SCHEMBL23399519 0.93 ALDH1A1 (0.47) KMT2AL3MBTL1MEN1NPC1RAB9A
SCHEMBL23402686 0.92 CCKAR (0.48) KMT2AL3MBTL1MEN1RAB9AALDH1A1
SCHEMBL23399774 0.90 NPC1 (0.51) KMT2AL3MBTL1MEN1NPC1RAB9A
SCHEMBL23402086 0.87 CCNA2 (0.48) KMT2AMEN1ESR1NPC1RAB9A
SCHEMBL23402037 0.87 CCNA2 (0.48) KMT2AMEN1ESR1NPC1RAB9A
SCHEMBL23403070 0.87 ESR1 (0.50) KMT2AL3MBTL1MEN1ESR1NPC1
SCHEMBL23398567 0.86 RPA1 (0.48) KMT2AL3MBTL1MEN1NPC1RAB9A
SCHEMBL23402448 0.86 L3MBTL1 (0.52) KMT2AL3MBTL1MEN1NPC1RAB9A

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