SCHEMBL28297911

SCHEMBL28297911

O=C(Nc1c(F)ccc(Cl)c1F)Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
POLB P06746 1/20 0.46
RAB9A P51151 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 7/20 0.44
MAPT P10636 5/20 0.44
KDM4E B2RXH2 5/20 0.44
GAA P10253 3/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
RAD51 Q06609 1/20 0.43
FAAH O00519 1/20 0.42
THRB P10828 1/20 0.41
GFER P55789 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL29739401 1.00 KMT2A (0.47) KMT2AMEN1POLBRAB9ANPSR1
SCHEMBL29739584 0.80 SMN1; SMN2 (0.40) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL29739303 0.79 POLB (0.46) KMT2AMEN1POLBRAB9ANPSR1
SCHEMBL26633326 0.79 POLB (0.46) KMT2AMEN1POLBRAB9ANPSR1
SCHEMBL16672098 0.78 KMT2A (0.58) KMT2AMEN1POLBRAB9ANPSR1
SCHEMBL3475291 0.77 SLC2A1 (0.42) KMT2AMEN1RAB9ANPSR1NPC1
SCHEMBL29444257 0.77 POLB (0.63) KMT2AMEN1POLBRAB9ANPSR1
SCHEMBL2488923 0.77 POLB (0.63) KMT2AMEN1POLBRAB9ANPSR1
SCHEMBL17868230 0.77 POLB (0.67) KMT2AMEN1POLBRAB9ANPSR1
SCHEMBL22069015 0.77 NPC1 (0.52) KMT2AMEN1POLBRAB9ANPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109843892-B Oxadiazepinone derivatives and their use in the treatment of hepatitis B infections 诺维拉治疗公司 2022-01-25 CN disclosed
CN-109843892-A Dislike diazepine ketone derivatives and its purposes in treatment hepatitis B infection 诺维拉治疗公司 2019-06-04 CN disclosed