SCHEMBL23794896

SCHEMBL23794896

COc1ccc(Nc2ccon2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.59
MAPT P10636 5/20 0.59
GAA P10253 4/20 0.59
ALDH1A1 P00352 3/20 0.59
HTT P42858 1/20 0.59
NPC1 O15118 4/20 0.55
MAPK1 P28482 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
KDM4E B2RXH2 1/20 0.55
THRB P10828 1/20 0.55
RECQL P46063 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
LMNA P02545 1/20 0.53
NR4A1 P22736 1/20 0.47
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ABCB11 O95342 1/20 0.44

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
SCHEMBL23794889 0.80 MEN1 (0.64) RAB9AMAPTNPC1MAPK1MEN1
SCHEMBL23794887 0.79 RAB9A (0.60) RAB9AMAPTGAAALDH1A1NPC1
SCHEMBL23794891 0.76 MAPK10 (0.50) RAB9AMAPTGAAALDH1A1NPC1
SCHEMBL23794894 0.76 AURKA (0.49) RAB9AMAPTGAAALDH1A1HTT
SCHEMBL23794893 0.76 MAPT (0.48) RAB9AMAPTNPC1MAPK1KDM4E
SCHEMBL23794897 0.75 ROCK1 (0.51) RAB9AMAPTALDH1A1HTTNPC1
SCHEMBL5765529 0.75 KMT2A (0.50) RAB9AMAPTGAAALDH1A1NPC1
SCHEMBL16290545 0.75 CLK4 (0.54) RAB9AMAPTGAAALDH1A1NPC1
SCHEMBL1459772 0.73 MAPT (1.00) RAB9AMAPTGAAALDH1A1HTT
SCHEMBL39057 0.73 MAPT (1.00) RAB9AMAPTGAAALDH1A1HTT

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-3876933-A1 NEUTROPHIL INFLAMMATION INHIBITOR AND USES THEREOF Chang Gung University of Science and Technology (TW) 2021-09-15 EP disclosed