SCHEMBL9925344

SCHEMBL9925344

O=NC(=O)c1ccc2nccc(-c3c(F)cccc3Cl)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 13/20 0.47
PTGES O14684 2/20 0.41
DOT1L Q8TEK3 1/20 0.38
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
TGFBR1 P36897 2/20 0.36
GAK O14976 1/20 0.36
RIPK2 O43353 1/20 0.36
MAP4K4 O95819 1/20 0.36
KDR P35968 1/20 0.36
ACVR1B P36896 1/20 0.36

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
SCHEMBL9907793 0.88 HTR5A (0.63) HTR5A
SCHEMBL9907344 0.87 HTR5A (0.43) HTR5APTGESDOT1LTGFBR1GAK
SCHEMBL9907340 0.83 TGFBR1 (0.50) HTR5APTGESTGFBR1MAPK14NPC1
SCHEMBL9907801 0.79 HTR5A (0.54) HTR5A
SCHEMBL9907363 0.78 DOT1L (0.44) DOT1LTGFBR1GAKRIPK2MAP4K4
SCHEMBL12874617 0.78 SLC2A1 (0.46) PTGESDOT1LTGFBR1GAKRIPK2
SCHEMBL9907790 0.75 HTR5A (0.62) HTR5A
SCHEMBL9907359 0.74 TGFBR1 (0.52) DOT1LTGFBR1
SCHEMBL9907795 0.74 HTR5A (0.58) HTR5A
SCHEMBL9907803 0.73 HTR5A (0.54) HTR5A

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
EP-2463276-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2012-06-13 EP disclosed