SCHEMBL7454499

SCHEMBL7454499

CCOC(=O)C(C)c1cn(C)c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
IDO1 P14902 1/20 0.52
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ATM Q13315 1/20 0.48
ALDH1A1 P00352 3/20 0.47
HPGD P15428 1/20 0.47
NR4A2 P43354 1/20 0.46
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MITF O75030 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL2184960 0.85 NR4A2 (0.55) KDM4EIDO1KMT2AMEN1LMNA
SCHEMBL13203774 0.85 NR4A2 (0.55) KDM4EIDO1KMT2AMEN1LMNA
SCHEMBL28203274 0.83 LMNA (0.45) KDM4EKMT2AMEN1LMNASMN1; SMN2
SCHEMBL27749752 0.82 KDM4E (0.57) KDM4EIDO1KMT2AMEN1LMNA
SCHEMBL369096 0.81 KMT2A (0.52) KDM4EKMT2AMEN1LMNASMN1; SMN2
SCHEMBL2687045 0.80 KDM4E (0.64) KDM4EIDO1KMT2AMEN1LMNA
SCHEMBL4092924 0.79 IDO1 (0.58) KDM4EIDO1KMT2AMEN1LMNA
SCHEMBL30303076 0.77 NR4A2 (0.47) KDM4EIDO1KMT2AMEN1LMNA
SCHEMBL28595796 0.77 NR4A2 (0.47) KDM4EIDO1KMT2AMEN1LMNA
SCHEMBL28585567 0.76 KDM4E (0.44) KDM4EIDO1KMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6100260-A ((3-(1-(2-FLUORO-BIPHENYL-4-YL)-ETHYL)-ISOXAZOL-5-YLIMINO) -MORPHOLIN-4-YL-M ETHYL)-AMINE, FOR EXAMPLE; ADMINISTERING TO TREAT AUTOIMMUNE DISEASES AND INFLAMMATION SUMITOMO PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-08 US disclosed
EP-0979226-A1 ISOXAZOLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-02-16 EP disclosed
WO-1998047880-A1 ISOXAZOLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-10-29 WO disclosed