SCHEMBL6448534

SCHEMBL6448534

CN(C)CCCNC(=N)NN

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
DNM1 Q05193 1/20 0.41
ALDH1A1 P00352 4/20 0.39
HRH4 Q9H3N8 2/20 0.39
CYP1A2 P05177 1/20 0.39
HRH2 P25021 1/20 0.39
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PAOX Q6QHF9 1/20 0.35
TSHR P16473 1/20 0.35
POLB P06746 1/20 0.34

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
Bromide SCHEMBL9290866 0.98 HRH4 (0.41) TDP1DNM1ALDH1A1HRH4CYP1A2
Bromide SCHEMBL9290763 0.96 HRH4 (0.40) TDP1DNM1ALDH1A1HRH4CYP1A2
SCHEMBL9290869 0.87 CA1 (0.43) TDP1DNM1ALDH1A1HRH4CYP1A2
SCHEMBL1527172 0.87 DNM1 (0.46) TDP1DNM1ALDH1A1HRH4CYP1A2
Iodide SCHEMBL7292011 0.85 CA1 (0.42) TDP1DNM1ALDH1A1HRH4CYP1A2
Hydrochloric Acid SCHEMBL11302631 0.85 CA1 (0.42) TDP1DNM1ALDH1A1HRH4CYP1A2
SCHEMBL10046070 0.83 DNM1 (0.43) TDP1DNM1ALDH1A1HRH4CYP1A2
SCHEMBL11409290 0.80 ALDH1A1 (0.46) TDP1DNM1ALDH1A1HRH4CYP1A2
SCHEMBL2906622 0.80 ALDH1A1 (0.45) ALDH1A1HSD17B10KDM4ECYP2C19PAOX
Iodide SCHEMBL4001778 0.79 ALDH1A1 (0.44) ALDH1A1HSD17B10KDM4ECYP2C19PAOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1175155-A4 METHOD FOR REDUCING A SUSCEPTIBILITY TO TUMOR FORMATION INDUCED BY 3-DEOXYGLUCOSONE AND PRECURSORS THEREOF FOX CHASE CANCER CT (US) 2005-10-19 EP disclosed
EP-1175155-A1 METHOD FOR REDUCING A SUSCEPTIBILITY TO TUMOR FORMATION INDUCED BY 3-DEOXYGLUCOSONE AND PRECURSORS THEREOF FOX CHASE CANCER CENTER (US) 2002-01-30 EP disclosed
WO-2000062626-A1 METHOD FOR REDUCING A SUSCEPTIBILITY TO TUMOR FORMATION INDUCED BY 3-DEOXYGLUCOSONE AND PRECURSORS THEREOF FOX CHASE CANCER CENTER (US) 2000-10-26 WO disclosed
US-4983604-A Aminoguanidine derivatives THE ROCKEFELLER UNIVERSITY (US) 1991-01-08 US disclosed
EP-0210291-A1 Platinum complexes of antitumor agents AMERICAN CYANAMID COMPANY (US) 1987-02-04 EP disclosed
US-4544759-A Platinum complexes of antitumor agents AMERICAN CYANAMID COMPANY (US) 1985-10-01 US disclosed