SCHEMBL23205461

SCHEMBL23205461

CN(C)c1ccc(/N=N/c2ccc(C(=O)I)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.73
RAB9A P51151 7/20 0.73
KMT2A Q03164 5/20 0.73
MEN1 O00255 4/20 0.73
MAPK1 P28482 3/20 0.73
POLB P06746 3/20 0.73
MAPT P10636 2/20 0.73
KDM4E B2RXH2 1/20 0.73
ALDH1A1 P00352 5/20 0.57
TSHR P16473 3/20 0.57
TDP1 Q9NUW8 3/20 0.57
HSD17B10 Q99714 2/20 0.57
HPGD P15428 2/20 0.55
MYC P01106 1/20 0.53
CA12 O43570 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
TP53 P04637 1/20 0.50
HIF1A Q16665 1/20 0.50
F2 P00734 2/20 0.49

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
SCHEMBL12432243 0.88 ALDH1A1 (0.70) NPC1RAB9AKMT2AMEN1MAPK1
SCHEMBL18821707 0.85 NPC1 (1.00) NPC1RAB9AKMT2AMEN1MAPK1
SCHEMBL156331 0.85 NPC1 (1.00) NPC1RAB9AKMT2AMEN1MAPK1
SCHEMBL12056707 0.85 NPC1 (1.00) NPC1RAB9AKMT2AMEN1MAPK1
SCHEMBL18806572 0.85 NPC1 (1.00) NPC1RAB9AKMT2AMEN1MAPK1
SCHEMBL93488 0.85 NPC1 (1.00) NPC1RAB9AKMT2AMEN1MAPK1
SCHEMBL12307345 0.85 NPC1 (1.00) NPC1RAB9AKMT2AMEN1MAPK1
SCHEMBL18806558 0.85 NPC1 (1.00) NPC1RAB9AKMT2AMEN1MAPK1
SCHEMBL11268162 0.83 NPC1 (0.96) NPC1RAB9AKMT2AMEN1MAPK1
SCHEMBL2682067 0.83 NPC1 (0.71) NPC1RAB9AKMT2AMEN1MAPK1

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-2021067483-A1 NUCLEOTIDE PROBES SONY CORPORATION (JP) 2021-04-08 WO disclosed