SCHEMBL11041318

SCHEMBL11041318

CNCCNCCNc1ccc(NCCNCCNC)c2c1C(=O)c1c(O)ccc(O)c1C2=O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.75
KMT2A Q03164 6/20 0.75
MAPK1 P28482 4/20 0.75
TDP1 Q9NUW8 4/20 0.75
BLM P54132 3/20 0.75
USP2 O75604 3/20 0.75
TP53 P04637 3/20 0.75
RECQL P46063 3/20 0.75
LMNA P02545 3/20 0.75
NSD2 O96028 3/20 0.75
NPC1 O15118 3/20 0.75
RAB9A P51151 3/20 0.75
CSNK2A2 P19784 3/20 0.75
CSNK2B P67870 3/20 0.75
CSNK2A1 P68400 3/20 0.75
CSNK2A3 Q8NEV1 3/20 0.75
ADRA1A P35348 3/20 0.75
SMN1; SMN2 Q16637 2/20 0.75
TOP2A P11388 2/20 0.75
MTOR P42345 2/20 0.75

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
SCHEMBL11275434 1.00 MEN1 (0.75) MEN1KMT2AMAPK1TDP1BLM
Hydrochloric Acid SCHEMBL11275683 0.98 BLM (0.76) MEN1KMT2AMAPK1TDP1BLM
Hydrochloric Acid SCHEMBL10524280 0.98 BLM (0.76) MEN1KMT2AMAPK1TDP1BLM
SCHEMBL10962752 0.95 MEN1 (0.67) MEN1KMT2AMAPK1TDP1BLM
SCHEMBL3288814 0.95 MEN1 (0.67) MEN1KMT2AMAPK1TDP1BLM
Hydrochloric Acid SCHEMBL10524932 0.94 MEN1 (0.68) MEN1KMT2AMAPK1TDP1BLM
SCHEMBL10633317 0.88 MEN1 (0.75) MEN1KMT2AMAPK1TDP1BLM
SCHEMBL15703039 0.87 MEN1 (0.57) MEN1KMT2AMAPK1TDP1BLM
SCHEMBL10619827 0.87 MEN1 (0.57) MEN1KMT2AMAPK1TDP1BLM
SCHEMBL13194388 0.87 MEN1 (0.57) MEN1KMT2AMAPK1TDP1BLM

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
US-4456552-A CHELATION, ANTITUMOR AMERICAN CYANAMID COMPANY (US) 1984-06-26 US claimed