SCHEMBL10643000

SCHEMBL10643000

C=CCNCCN(CC)CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.33
PAOX Q6QHF9 1/20 0.32
ALDH1A1 P00352 2/20 0.32
USP2 O75604 1/20 0.31
HTT P42858 1/20 0.31
NFKB1 P19838 1/20 0.31
KCNH2 Q12809 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SIGMAR1 Q99720 2/20 0.31
CYP3A4 P08684 1/20 0.30
THRB P10828 1/20 0.30
BLM P54132 1/20 0.30
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDM1A O60341 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
Phosphoric Acid SCHEMBL1025029 0.88 KMT2A (0.36) KMT2AMEN1POLBLMNANPSR1
SCHEMBL8716909 0.86 TDP1 (0.36) KMT2AMEN1POLBTDP1
SCHEMBL18232142 0.79
SCHEMBL229973 0.79 PAOX (0.43) KMT2AMEN1LMNANPSR1PAOX
SCHEMBL4306829 0.78 TDP1 (0.35) KMT2AMEN1KDM4ETDP1SMN1; SMN2
SCHEMBL18465506 0.76 TDP1 (0.36) ALDH1A1TDP1
SCHEMBL9771236 0.75
SCHEMBL28611083 0.75 KMT2A (0.41) KMT2AMEN1LMNANPSR1KDM4E
SCHEMBL147326 0.75 KMT2A (0.37) KMT2AMEN1POLBLMNANPSR1
SCHEMBL9446587 0.75 CYP2C9 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0158775-B1 SUBSTITUTED SULFONAMIDOBENZAMIDES, ANTIARRYTHMIC AGENTS AND COMPOSITIONS THEREOF SCHERING AKTIENGESELLSCHAFT (DE) 1988-04-20 EP disclosed
US-4629739-A Substituted sulfonamidobenzamides and method of treating arrhythmias SCHERING A.G. (DE) 1986-12-16 US disclosed