SCHEMBL2879225

SCHEMBL2879225

CO[C@@H]1Cc2ccccc2[C@H]1Nc1cc(O[C@@H]2C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C2)ncn1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 12/20 0.46
UBA3 Q8TBC4 12/20 0.46
CRHR1 P34998 8/20 0.35

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
SCHEMBL782852 1.00 NAE1 (0.46) NAE1UBA3CRHR1
SCHEMBL782936 0.91 NAE1 (0.47) NAE1UBA3CRHR1
SCHEMBL782935 0.91 NAE1 (0.47) NAE1UBA3CRHR1
SCHEMBL782494 0.90 NAE1 (0.60) NAE1UBA3
SCHEMBL782666 0.87 CRHR1 (0.35) NAE1UBA3CRHR1
SCHEMBL783671 0.86 NAE1 (0.57) NAE1UBA3
SCHEMBL782789 0.86 NAE1 (0.57) NAE1UBA3
SCHEMBL2873770 0.83 NAE1 (0.51) NAE1UBA3CRHR1
SCHEMBL2873765 0.83 NAE1 (0.51) NAE1UBA3CRHR1
SCHEMBL783955 0.83 CRHR1 (0.36) NAE1UBA3CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049491-B1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARM INC (US) 2010-10-20 EP disclosed