SCHEMBL6508660

SCHEMBL6508660

Cc1nc(NC(N)=Nc2cccc(OCc3ccccc3)c2)nc2c1CCCC2

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.52
LMNA P02545 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 3/20 0.40
NPC1 O15118 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
SCN2A Q99250 1/20 0.38
SPHK2 Q9NRA0 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38

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
SCHEMBL6513739 0.85 SMN1; SMN2 (0.42) LMNARAB9AMEN1POLBKMT2A
SCHEMBL6510506 0.83 MAPK1 (0.56) MAPK1LMNARAB9AMEN1POLB
SCHEMBL6509392 0.82 MAPT (0.43) LMNARAB9AMEN1KMT2ANPSR1
SCHEMBL5923574 0.82 MAPK1 (0.46) MAPK1LMNARAB9AMEN1KMT2A
SCHEMBL6513286 0.80 MAPK1 (0.62) MAPK1LMNARAB9AMEN1POLB
SCHEMBL6511304 0.77 MAPT (0.45) LMNARAB9AMEN1POLBKMT2A
SCHEMBL6510249 0.76 MAPK1 (0.62) MAPK1LMNARAB9AMEN1POLB
SCHEMBL4100977 0.75 SIGMAR1 (0.55) LMNAKMT2ASMN1; SMN2MAPTL3MBTL1
SCHEMBL4981988 0.75 MAPK1 (0.69) MAPK1LMNARAB9AMEN1POLB
SCHEMBL6510602 0.75 MAPK1 (0.63) MAPK1LMNARAB9AMEN1POLB

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-2005095345-A2 HETEROARYL GUANIDINES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2005-10-13 WO claimed