SCHEMBL19670946

SCHEMBL19670946

CC(C)(C)C(=O)Nc1ccc(I)cc1C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
CETP P11597 1/20 0.41
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
PTPRC P08575 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPRA P18433 1/20 0.36
PTPRB P23467 1/20 0.36
PTPRE P23469 1/20 0.36
PTPN6 P29350 1/20 0.36
MAPT P10636 2/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
ALDH1A1 P00352 2/20 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
SCHEMBL15428158 0.83 L3MBTL1 (0.43) L3MBTL1CETPKDM4ERAB9ANPSR1
SCHEMBL15428010 0.83 SRC (0.44) ERN1L3MBTL1CETPKDM4EMEN1
SCHEMBL6094043 0.79 TACR1 (0.42) L3MBTL1CETPKDM4EMEN1KMT2A
SCHEMBL14355952 0.78 ERN1 (0.46) ERN1L3MBTL1KDM4EMEN1RAB9A
SCHEMBL15427825 0.77 CETP (0.57) L3MBTL1CETPKDM4EMEN1RAB9A
SCHEMBL4177446 0.76 PTPRC (0.64) L3MBTL1CETPKDM4EMEN1RAB9A
SCHEMBL3010925 0.76 POLB (0.44) L3MBTL1KDM4ERAB9AKMT2ANPSR1
SCHEMBL2209063 0.76 CETP (0.44) ERN1L3MBTL1CETPKDM4EMEN1
SCHEMBL30922573 0.76 L3MBTL1 (0.46) L3MBTL1CETPKDM4EMEN1RAB9A
SCHEMBL28579201 0.75 MAPT (0.49) ERN1MEN1RAB9AKMT2AMAPT

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-9837622-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-05 US disclosed