SCHEMBL17763229

SCHEMBL17763229

CC(C)(C)OC(=O)NCCCCCn1nnc2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 4/20 0.55
▸ SLC9A1 P19634 4/20 0.54
▸ DRD2 P14416 3/20 0.49
▸ BCHE P06276 1/20 0.49
▸ ASAH1 Q13510 1/20 0.49
▸ EGLN3 Q9H6Z9 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ MAPT P10636 1/20 0.47

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
SCHEMBL29964193 0.83 BCHE (0.49) BRD4SLC9A1BCHEEGLN3KDM4E
SCHEMBL18803150 0.83 BCHE (0.49) BRD4SLC9A1BCHEEGLN3KDM4E
SCHEMBL7465562 0.82 SLC9A1 (0.61) SLC9A1ASAH1EGLN3KDM4EMAPT
SCHEMBL29964106 0.81 BCHE (0.47) BRD4SLC9A1BCHEEGLN3KDM4E
SCHEMBL13855987 0.80 BRD4 (0.51) BRD4DRD2BCHEASAH1
SCHEMBL10090133 0.77 BRD4 (0.48) BRD4BCHEASAH1MAPT
SCHEMBL24412639 0.77 KDM4E (0.69) SLC9A1ASAH1EGLN3KDM4EMAPT
SCHEMBL16831117 0.75 KEAP1 (0.44) BRD4KDM4E
SCHEMBL18187068 0.75 KEAP1 (0.44) BRD4KDM4E
SCHEMBL24412687 0.74 SLC9A1 (0.64) SLC9A1ASAH1EGLN3KDM4EMAPT

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
WO-2016077061-A2 METHODS AND COMPOSITIONS FOR IMPROVED LABELING OF TARGETING PEPTIDES IMMUNOMEDICS, INC. (US) 2016-05-19 — — WO disclosed
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