SCHEMBL6617822

SCHEMBL6617822

CC(CCNC(=O)c1c(-c2coc3ccccc23)noc1N)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.37
RIPK1 Q13546 4/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 3/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC3 O15379 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
PSMB5 P28074 2/20 0.35
EPHX2 P34913 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL6319091 0.91 EPHX2 (0.43) MAOBKMT2AMAPTALDH1A1MAPK1
SCHEMBL6317244 0.90 KDM4E (0.40) MAOBKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL6316589 0.84 KMT2A (0.43) MAOBKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL6314864 0.83 MAOB (0.45) MAOBKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL6315149 0.83 RAB9A (0.45) KMT2AMAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL6317875 0.83 L3MBTL1 (0.52) KMT2AALDH1A1MAPK1SMN1; SMN2L3MBTL1
SCHEMBL6316873 0.82 MAOB (0.44) MAOBALDH1A1MAPK1SMN1; SMN2HDAC6
SCHEMBL6324110 0.82 MAPT (0.50) KMT2AMAPTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL6321222 0.82 MAOB (0.43) MAOBALDH1A1MAPK1SMN1; SMN2HDAC6
SCHEMBL6318234 0.82 L3MBTL1 (0.52) KMT2AMAPTALDH1A1L3MBTL1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP claimed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO claimed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP disclosed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO disclosed