SCHEMBL7426418

SCHEMBL7426418

COC(=O)NC(=O)c1cccc(I)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.52
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
GRM5 P41594 1/20 0.51
TP53BP1 Q12888 1/20 0.49
F2 P00734 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
KAT6A Q92794 1/20 0.43
PTPN1 P18031 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDR P35968 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL2290042 0.83 HDAC8 (0.63) MTORHDAC1HDAC2GRM5TP53BP1
SCHEMBL1926964 0.80 MTOR (0.52) MTORHDAC1HDAC2GRM5TP53BP1
SCHEMBL281 0.79 TSHR (0.57) HDAC1HDAC2GRM5NPC1RAB9A
SCHEMBL29732178 0.79 TSHR (0.57) HDAC1HDAC2GRM5NPC1RAB9A
SCHEMBL7451795 0.79 TSHR (0.57) HDAC1HDAC2GRM5NPC1RAB9A
SCHEMBL17680606 0.79 NPSR1 (0.59) MTORHDAC1HDAC2GRM5TP53BP1
SCHEMBL27477217 0.79 RAB9A (0.68) MEN1KMT2ANPC1RAB9ARXFP1
Hydrochloric Acid SCHEMBL11231916 0.78 TSHR (0.55) HDAC1HDAC2GRM5NPC1RAB9A
SCHEMBL7557230 0.77 MTOR (0.50) MTORHDAC1HDAC2GRM5TP53BP1
SCHEMBL31010846 0.77 MTOR (0.50) MTORHDAC1HDAC2GRM5TP53BP1

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-2002068417-A3 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS SLASSI ABDELMALIK (CA) 2002-11-14 WO disclosed