SCHEMBL22017069

SCHEMBL22017069

Cc1ccc(C)c(/C=N/NC(=N)N)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.61
ALDH1A1 P00352 7/20 0.57
ALOX12 P18054 4/20 0.52
NPSR1 Q6W5P4 1/20 0.49
GAA P10253 4/20 0.47
MAPT P10636 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
USP2 O75604 1/20 0.46
THRB P10828 1/20 0.40
PIK3CG P48736 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
ALOX5 P09917 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 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
SCHEMBL16993762 0.87 MAPT (0.53) LMNAALDH1A1ALOX12NPSR1GAA
SCHEMBL16993761 0.87 MAPT (0.53) LMNAALDH1A1ALOX12NPSR1GAA
Hydrochloric Acid SCHEMBL5702996 0.86 MAPT (0.52) LMNAALDH1A1ALOX12NPSR1GAA
SCHEMBL22017070 0.86 NPC1 (0.52) LMNAALDH1A1GAAMAPTMEN1
Hydrochloric Acid SCHEMBL5703001 0.86 MAPT (0.52) LMNAALDH1A1ALOX12NPSR1GAA
SCHEMBL31105648 0.84 HTT (0.46) LMNAALDH1A1ALOX12GAAMAPT
SCHEMBL17395926 0.84 HTT (0.46) LMNAALDH1A1ALOX12GAAMAPT
SCHEMBL17395927 0.84 HTT (0.46) LMNAALDH1A1ALOX12GAAMAPT
SCHEMBL18137719 0.81 GAA (0.43) LMNAALDH1A1ALOX12NPSR1GAA
SCHEMBL19449860 0.81 MAPT (0.49) LMNAALDH1A1ALOX12GAAMAPT

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