SCHEMBL23794889

SCHEMBL23794889

COc1cccc(Nc2ccon2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
MAPT P10636 2/20 0.64
MAPK1 P28482 1/20 0.64
EGFR P00533 4/20 0.57
ROCK1 Q13464 1/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
ERBB3 P21860 3/20 0.52
POLB P06746 2/20 0.51
ABCG2 Q9UNQ0 2/20 0.49
ABCB1 P08183 1/20 0.49
ABCC1 P33527 1/20 0.49
TP53 P04637 1/20 0.49
RAPGEF4 Q8WZA2 1/20 0.49
KCNH3 Q9ULD8 1/20 0.47
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46

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
SCHEMBL23794896 0.80 RAB9A (0.59) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL1085867 0.77 MEN1 (0.71) MEN1KMT2AMAPTMAPK1EGFR
SCHEMBL73115 0.76 BACE1 (0.45) MEN1KMT2AEGFRABCG2ABCB1
SCHEMBL13302353 0.75 MEN1 (0.69) MEN1KMT2AMAPTMAPK1EGFR
SCHEMBL21258948 0.74 MEN1 (0.67) MEN1KMT2AMAPTMAPK1EGFR
SCHEMBL1921496 0.74 MTNR1B (0.72) MEN1KMT2AMAPTMAPK1EGFR
SCHEMBL5765529 0.74 KMT2A (0.50) MEN1KMT2AMAPTMAPK1ROCK1
SCHEMBL26186649 0.74 EGFR (0.59) MEN1KMT2AMAPTMAPK1EGFR
SCHEMBL7968715 0.73 MEN1 (0.66) MEN1KMT2AMAPTMAPK1EGFR
SCHEMBL1377802 0.73 EGFR (1.00) MEN1KMT2AMAPTMAPK1EGFR

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