SCHEMBL2789409

SCHEMBL2789409

CC(=O)Nc1ncccc1I

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
S100A4 P26447 2/20 0.42
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
PPIA P62937 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NAPRT Q6XQN6 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.39
CLK1 P49759 1/20 0.39

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
SCHEMBL18822186 0.83 RAB9A (0.46) KMT2AMEN1RAB9ANPC1HTT
SCHEMBL510235 0.81 L3MBTL1 (0.47) KMT2ARAB9ANPC1HTTATM
SCHEMBL4449131 0.79 NPC1 (0.56) KMT2AMEN1RAB9ANPC1ATM
SCHEMBL31076256 0.79 MEN1 (0.60) KMT2AMEN1S100A4RAB9ANPC1
SCHEMBL30421156 0.79 RAB9A (0.65) KMT2ARAB9ANPC1HTTATM
SCHEMBL5629538 0.79 RAB9A (0.65) KMT2ARAB9ANPC1HTTATM
SCHEMBL4272878 0.79 MEN1 (0.60) KMT2AMEN1S100A4RAB9ANPC1
SCHEMBL10109799 0.78 KMT2A (0.46) KMT2AMEN1S100A4RAB9ANPC1
SCHEMBL21847253 0.78 KMT2A (0.46) KMT2AMEN1S100A4RAB9ANPC1
SCHEMBL30421216 0.78 KMT2A (0.46) KMT2AMEN1S100A4RAB9ANPC1

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
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed