SCHEMBL8447646

SCHEMBL8447646

Cc1n[nH]c(C)c1/N=[C+]/N.O=[N+]([O-])[O-]

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
DYRK1A Q13627 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP3A4 P08684 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HTT P42858 2/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL6967196 0.68
SCHEMBL22637918 0.64 MAPT (0.61) MAPTSMN1; SMN2KDM4EALDH1A1TDP1
SCHEMBL22637920 0.64 MAPT (0.61) MAPTSMN1; SMN2KDM4EALDH1A1TDP1
SCHEMBL1774571 0.63 HTT (0.51) MAPTSMN1; SMN2KDM4EALDH1A1TDP1
SCHEMBL4684107 0.60 DAO (0.35) MAPTSMN1; SMN2KDM4EALDH1A1TDP1
SCHEMBL20746623 0.59
SCHEMBL9357304 0.57 PKM (0.44) MAPTSMN1; SMN2KDM4EALDH1A1TDP1
SCHEMBL9353447 0.57 TDP1 (0.39) MAPTSMN1; SMN2KDM4EALDH1A1TDP1
SCHEMBL5200898 0.57
Hydrochloric Acid SCHEMBL20702180 0.56 HTT (0.47) MAPTSMN1; SMN2ALDH1A1ADORA2AADORA2B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0701550-B1 PROCESS FOR THE PRODUCTION OF AMINOALKYLGUANIDINES ASTRA AB (SE) 1999-03-31 EP disclosed
US-5659071-A Process for the production of aminoalkylguanidines ASTRA AKTIEBOLAG (SE) 1997-08-19 US disclosed
EP-0701550-A1 PROCESS FOR THE PRODUCTION OF AMINOALKYLGUANIDINES Astra Aktiebolag (SE) 1996-03-20 EP disclosed
US-5498724-A Pyrazoleamidine compounds AKTIEBOLAGET ASTRA (SE) 1996-03-12 US disclosed
WO-1994029269-A1 PROCESS FOR THE PRODUCTION OF AMINOALKYLGUANIDINES ASTRA AKTIEBOLAG (SE) 1994-12-22 WO disclosed