SCHEMBL7979468

SCHEMBL7979468

CCOc1ccc(NC(=O)Nc2ccc(CN(C#N)C(=N)Nc3ccncc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.60
RAB9A P51151 7/20 0.49
KMT2A Q03164 4/20 0.49
LMNA P02545 4/20 0.49
NPC1 O15118 4/20 0.49
PKM P14618 1/20 0.49
NAMPT P43490 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 2/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.45
GAA P10253 1/20 0.44
HTT P42858 2/20 0.44
HPGD P15428 1/20 0.44
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
GBA1 P04062 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL7967399 0.82 RAB9A (0.40) RAB9AKMT2ALMNANPC1NAMPT
SCHEMBL4112906 0.72 MAPT (0.64) MAPTRAB9AKMT2ALMNANPC1
SCHEMBL10576308 0.71 MAPT (0.86) MAPTRAB9AKMT2ALMNANPC1
SCHEMBL8220313 0.71 POLB (0.45) MAPTRAB9AKMT2ALMNANAMPT
SCHEMBL11617207 0.71 MAPT (0.63) MAPTRAB9AKMT2ALMNANPC1
SCHEMBL7976377 0.71 HTT (0.56) MAPTRAB9AKMT2ALMNANPC1
SCHEMBL4113073 0.71 MAPT (0.71) MAPTRAB9AKMT2ALMNANPC1
SCHEMBL4105709 0.70 MAPT (0.73) MAPTRAB9AKMT2ALMNANPC1
SCHEMBL4113552 0.70 MAPT (0.68) MAPTRAB9AKMT2ALMNANPC1
SCHEMBL15575212 0.69 NAMPT (0.75) MAPTRAB9AKMT2ALMNANPC1

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
US-6255323-B1 Cyanoguanidine compounds SHIONOGI BIORESEARCH CORP. 2001-07-03 US disclosed