SCHEMBL22017330

SCHEMBL22017330

NC(N)N/N=C/c1ccncc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
GAA P10253 4/20 0.40
MAPT P10636 5/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 4/20 0.33
SRC P12931 1/20 0.33
BRAF P15056 1/20 0.33
KDR P35968 1/20 0.33
NPC1 O15118 5/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
USP2 O75604 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
RAB9A P51151 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL15875058 0.76 KMT2A (0.39) HTTCDK5CDK5R1GAAMAPT
SCHEMBL15875061 0.76 KMT2A (0.39) HTTCDK5CDK5R1GAAMAPT
SCHEMBL22431375 0.74 HTT (0.36) HTTCDK5CDK5R1GAAMAPT
SCHEMBL4637844 0.73 GAA (0.42) HTTCDK5CDK5R1GAAKMT2A
SCHEMBL4637840 0.73 GAA (0.42) HTTCDK5CDK5R1GAAKMT2A
SCHEMBL4637787 0.70 GAA (0.39) HTTCDK5CDK5R1GAAMAPT
Acetic Acid SCHEMBL17395930 0.70 KDM4E (0.39) GAAMAPTPOLBNPC1MEN1
Acetic Acid SCHEMBL17395931 0.70 KDM4E (0.39) GAAMAPTPOLBNPC1MEN1
SCHEMBL28657657 0.70 GRIN2D (0.60) MAPTNPSR1NPC1KMT2AL3MBTL1
SCHEMBL15741494 0.69

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-3164123-B1 NOVEL THERAPEUTIC USES OF BENZYLIDENEGUANIDINE DERIVATIVES FOR THE TREATMENT OF PROTEOPATHIES INFLECTIS BIOSCIENCE (FR) 2020-05-20 EP disclosed