SCHEMBL7307719

SCHEMBL7307719

CC(C)(C)OC(=O)Oc1ccc2n[nH]c(=O)n2c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.48
ELANE P08246 1/20 0.46
KDM1A O60341 1/20 0.38
CA2 P00918 1/20 0.36
NOTUM Q6P988 1/20 0.35
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
OGA O60502 1/20 0.31
MAPKAPK2 P49137 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL6474876 0.78 SCN5A (0.47) SCN5AELANECA2NOTUMALDH1A1
SCHEMBL4061370 0.71 ELANE (0.81) ELANEKDM1ACA2L3MBTL1MAPKAPK2
SCHEMBL16154734 0.69 SCN5A (0.48) SCN5ANOTUMPOLBKDM4EALDH1A1
SCHEMBL198087 0.67 ELANE (0.68) ELANEKDM1ACA2POLBL3MBTL1
SCHEMBL2152569 0.67 LMNA (0.58) ELANEHTT
SCHEMBL4059798 0.66 ELANE (0.72) ELANEKDM1ACA2MAPKAPK2
SCHEMBL4061539 0.65 ELANE (0.65) ELANEKDM1ACA2POLBL3MBTL1
SCHEMBL4057059 0.65 ELANE (0.70) ELANEKDM1ACA2KDM4E
SCHEMBL217465 0.65 KDM4E (0.45) SCN5ACA2POLBL3MBTL1KDM4E
SCHEMBL248547 0.65 SCN5A (1.00) SCN5ANOTUMPOLBL3MBTL1

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-0854140-B1 Vitronectin receptor antagonists, their production and their use SANOFI AVENTIS DEUTSCHLAND (DE) 2013-11-06 EP disclosed
EP-0854140-A2 Vitronectin receptor antagonists, their production and their use HOECHST AKTIENGESELLSCHAFT (DE) 1998-07-22 EP disclosed