SCHEMBL7478628

SCHEMBL7478628

COC(=O)CC(N[C]=O)c1ccc2c(c1)OCO2

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.59
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
EDNRA P25101 3/20 0.44
MAPK9 P45984 1/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL8829420 0.86 RAB9A (0.62) RAB9AKMT2AMEN1EDNRAMAPK9
SCHEMBL20217881 0.86 RAB9A (0.62) RAB9AKMT2AMEN1EDNRAMAPK9
SCHEMBL8828117 0.79 KMT2A (0.55) RAB9AKMT2AMEN1EDNRAMAPK9
SCHEMBL15238894 0.79 KMT2A (0.55) RAB9AKMT2AMEN1EDNRAMAPK9
SCHEMBL5045046 0.79 KMT2A (0.55) RAB9AKMT2AMEN1EDNRAMAPK9
SCHEMBL4846856 0.79 RAB9A (0.55) RAB9AKMT2AMEN1EDNRAHPGD
SCHEMBL14261990 0.78 RAB9A (0.59) RAB9AKMT2AMEN1HPGDSMN1; SMN2
SCHEMBL2555520 0.77 KMT2A (0.55) RAB9AKMT2AMEN1EDNRAMAPK9
SCHEMBL7482561 0.76 RAB9A (0.57) RAB9AKMT2AMEN1HPGDSMN1; SMN2
SCHEMBL7446886 0.76 RAB9A (0.49) RAB9AKMT2AMEN1EDNRAMAPK9

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
EP-1133484-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS AstraZeneca AB (SE) 2001-09-19 EP disclosed
WO-2000005223-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS ASTRAZENECA AB (SE) 2000-02-03 WO disclosed