SCHEMBL23399682

SCHEMBL23399682

Cc1ccc(-c2cn(C)nc2O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK14 Q16539 2/20 0.40
COMT P21964 2/20 0.40
MAPK13 O15264 1/20 0.40
CSNK1D P48730 1/20 0.40
CSNK1E P49674 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
BRAF P15056 6/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPK3 P27361 2/20 0.37
MAPK1 P28482 2/20 0.37
TGFBR1 P36897 1/20 0.37
LRRK2 Q5S007 1/20 0.36
BRD4 O60885 1/20 0.36
ESRRA P11474 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL14996594 0.82 SMN1; SMN2 (0.51) MEN1KMT2AMAPK14COMTMAPK13
SCHEMBL23399043 0.82 KMT2A (0.45) KMT2AMAPK14MAPK13CSNK1DCSNK1E
SCHEMBL23399378 0.79 RAB9A (0.48) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL23403474 0.79 MEN1 (0.39) MEN1KMT2ACOMTSMN1; SMN2NPC1
SCHEMBL23233883 0.78 MAPK14 (0.39) MEN1KMT2AMAPK14COMTMAPK13
SCHEMBL23212174 0.78 MEN1 (0.55) MEN1KMT2AMAPK14MAPK13CSNK1D
SCHEMBL23398666 0.78 JMJD6 (0.47) KMT2ASMN1; SMN2BRAFNPC1RAB9A
SCHEMBL23398807 0.78 COMT (0.41) MEN1KMT2ACOMTSMN1; SMN2NPC1
SCHEMBL23401093 0.78 SRC (0.38) MEN1KMT2AMAPK14COMTCSNK1D
SCHEMBL23400106 0.78 MEN1 (0.38) MEN1KMT2ACOMTSMN1; SMN2NPC1

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