SCHEMBL18413727

SCHEMBL18413727

CC1(C)NC(=O)C(C)(C)C(=O)NC(C)(C)C(=O)Nc2cc(I)ccc2NC1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ HTR6 P50406 1/20 0.35
▸ MGAT2 Q10469 1/20 0.34
▸ PDK2 Q15119 1/20 0.33
▸ PDK4 Q16654 1/20 0.33
▸ PGR P06401 3/20 0.33
▸ SNCA P37840 1/20 0.32
▸ PDE3B Q13370 1/20 0.31
▸ PDE3A Q14432 1/20 0.31
▸ MOGAT2 Q3SYC2 2/20 0.31
▸ APP P05067 4/20 0.31
▸ MAPT P10636 4/20 0.31

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
SCHEMBL18413652 0.83 TGM2 (0.49) TGM2CES1HTR6PDK2PDK4
SCHEMBL18413662 0.80 CHEK1 (0.39) HTR6MGAT2PDK2PDK4PGR
SCHEMBL18413726 0.79 PDE7A (0.36) TGM2CES1HTR6MGAT2
SCHEMBL12237301 0.78 PDK2 (0.53) MGAT2PDK2PDK4MAPT
SCHEMBL14207166 0.75 AKR1B1 (0.37) CES1HTR6MGAT2PDK2PDK4
SCHEMBL31238681 0.72 PDK2 (0.55) PDK2PDK4PGRPDE3BPDE3A
SCHEMBL10116540 0.72 PDK2 (0.55) PDK2PDK4PGRPDE3BPDE3A
SCHEMBL2144278 0.72 PDK2 (0.55) TGM2CES1HTR6PDK2PDK4
SCHEMBL12946119 0.69 HTR6 (0.31) HTR6MGAT2
SCHEMBL3594073 0.68 MGAT2 (0.37) MGAT2PDK2PDK4PGRPDE3B

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-20190091673-A1 DISSOCIABLE NANOPARTICLES WITH INTER ALIA TRANSITION-METAL COMPLEX CATALYSTS OXFORD FINANCE LLC 2019-03-28 — — US disclosed
WO-2017015145-A2 DISSOCIABLE TRANSITION-METAL NANOPARTICLES SeLux Diagnostics, Inc. (US) 2017-01-26 — — WO disclosed
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