SCHEMBL12652425

SCHEMBL12652425

COC1Cc2ccccc2C1Nc1ncnc2c1ncn2[C@H]1CC[C@@H](CCS(N)(=O)=O)O1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NAE1 Q13564 5/20 0.44
▸ UBA3 Q8TBC4 5/20 0.44
▸ UBA6 A0AVT1 1/20 0.44
▸ ATG7 O95352 1/20 0.44
▸ UBA7 P41226 1/20 0.44
▸ SAE1 Q9UBE0 1/20 0.44
▸ BCHE P06276 1/20 0.38
▸ ABL1 P00519 2/20 0.37
▸ RIN1 Q13671 2/20 0.37
▸ NR2F2 P24468 2/20 0.37
▸ GALR3 O60755 1/20 0.37

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
SCHEMBL18631615 0.90 NAE1 (0.51) NAE1UBA3UBA6ATG7UBA7
SCHEMBL1798415 0.84 UBA6 (0.58) NAE1UBA3UBA6ATG7UBA7
SCHEMBL1798413 0.84 UBA6 (0.58) NAE1UBA3UBA6ATG7UBA7
SCHEMBL12566820 0.79 NAE1 (0.44) NAE1UBA3UBA6ATG7UBA7
SCHEMBL17898105 0.77 NAE1 (0.71) NAE1UBA3UBA6ATG7UBA7
SCHEMBL12566826 0.73 NAE1 (0.71) NAE1UBA3UBA6ATG7UBA7
SCHEMBL1796096 0.73 UBA6 (0.60) NAE1UBA3UBA6ATG7UBA7
SCHEMBL12617332 0.73 UBA6 (0.60) NAE1UBA3UBA6ATG7UBA7
SCHEMBL1796094 0.73 UBA6 (0.60) NAE1UBA3UBA6ATG7UBA7
SCHEMBL20008056 0.73 NAE1 (0.48) NAE1UBA3UBA6ATG7UBA7

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
US-7951810-B2 Substituted pyrrolo[2,3-d]pyrimidines as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-31 — — US disclosed
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