SCHEMBL23794894

SCHEMBL23794894

Oc1ccc(Nc2ccon2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.49
RAB9A P51151 3/20 0.44
POLB P06746 2/20 0.44
TNIK Q9UKE5 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DNM1 Q05193 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
DHFR P00374 2/20 0.38
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
IGF1R P08069 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
SCHEMBL23794887 0.80 RAB9A (0.60) RAB9APOLBMEN1KMT2ANPC1
SCHEMBL5788078 0.80 RAB9A (0.43) RAB9APOLBMEN1KMT2ANPC1
SCHEMBL23794893 0.80 MAPT (0.48) RAB9APOLBMEN1KMT2ANPC1
SCHEMBL23794891 0.80 MAPK10 (0.50) RAB9APOLBMEN1KMT2ANPC1
SCHEMBL5765529 0.79 KMT2A (0.50) AURKARAB9AMEN1KMT2ANPC1
SCHEMBL23794897 0.76 ROCK1 (0.51) RAB9APOLBMEN1KMT2ANPC1
SCHEMBL23794892 0.76 KMT2A (0.48) KMT2A
SCHEMBL23794896 0.76 RAB9A (0.59) RAB9APOLBMEN1KMT2ANPC1
SCHEMBL5801454 0.70 CA1 (0.47) BACE1BACE2
SCHEMBL306231 0.69 ALDH1A1 (0.57) AURKARAB9APOLBMEN1KMT2A

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