SCHEMBL17145172

SCHEMBL17145172

NS(=O)(=O)CC[C@@H]1C[C@@H](Oc2cc(Cc3ccccc3)ncn2)C[C@@H]1O

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NAE1 Q13564 19/20 0.76
▸ UBA3 Q8TBC4 19/20 0.76
▸ OPRK1 P41145 1/20 0.34
▸ KCNH2 Q12809 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
SCHEMBL18526987 0.78 NAE1 (0.63) NAE1UBA3OPRK1KCNH2
SCHEMBL23456068 0.69 NAE1 (0.57) NAE1UBA3OPRK1KCNH2
SCHEMBL23487922 0.69 NAE1 (0.57) NAE1UBA3OPRK1KCNH2
SCHEMBL783611 0.67 NAE1 (1.00) NAE1UBA3
SCHEMBL15025759 0.66 NAE1 (0.51) NAE1UBA3
SCHEMBL783729 0.64 NAE1 (0.88) NAE1UBA3
SCHEMBL783582 0.64 NAE1 (0.75) NAE1UBA3
SCHEMBL23456099 0.63 NAE1 (0.47) NAE1UBA3
SCHEMBL30164347 0.63 NAE1 (0.47) NAE1UBA3
SCHEMBL3912788 0.62 LMNA (0.44) NAE1UBA3

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
US-9150525-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-10-06 — — US disclosed
US-9150525-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-10-06 — — US disclosed
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