SCHEMBL27745006

SCHEMBL27745006

CC(N)CNC(=O)c1ccc(I)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.47
HPGD P15428 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 3/20 0.45
GAA P10253 2/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
FOLH1 Q04609 1/20 0.44

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
SCHEMBL7211938 0.84 LMNA (0.54) MLYCDHPGDNPSR1KMT2AGAA
SCHEMBL7212094 0.83 CYP1A2 (0.57) MLYCDHPGDKMT2AMEN1KDM4E
SCHEMBL6656313 0.82 NPC1 (0.59) HPGDKMT2AGAAHSD17B10
SCHEMBL11349126 0.80 RAB9A (0.56) MLYCDHPGDNPSR1KMT2AGAA
SCHEMBL26031477 0.79 NAMPT (0.50) MLYCDHPGDNPSR1CYP1A2CYP2D6
SCHEMBL3037389 0.78 MEN1 (0.56) MLYCDHPGDNPSR1KMT2AGAA
SCHEMBL6196126 0.78 NPC1 (0.57)
SCHEMBL6196129 0.78 NPC1 (0.57)
SCHEMBL5663152 0.76 MLYCD (0.40) MLYCDHPGDNPSR1KMT2AMEN1
SCHEMBL7715145 0.76 FOLH1 (0.50) HPGDKMT2AMEN1CYP1A2CYP2D6

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
CN-101472916-A Chemical compounds ASTRAZENECA AB (SE) 2009-07-01 CN disclosed