SCHEMBL7989530

SCHEMBL7989530

Cc1ccc(CN2CCN(Cc3ccc(C)cc3)CCN(Cc3ccc(C)cc3)CCN(Cc3ccc(C)cc3)CC2)cc1

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.83
ALDH1A1 P00352 2/20 0.83
POLB P06746 1/20 0.83
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
L3MBTL1 Q9Y468 3/20 0.62
MAPK1 P28482 3/20 0.62
CXCR4 P61073 1/20 0.59
ATM Q13315 1/20 0.59
HRH3 Q9Y5N1 2/20 0.58
SIGMAR1 Q99720 1/20 0.58
GAA P10253 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL7989269 1.00 LMNA (0.83) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL11356824 1.00 LMNA (0.83) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL1045922 1.00 LMNA (0.83) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL1045984 0.93 ALDH1A1 (0.74) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL1045595 0.93 ALDH1A1 (0.74) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL8529470 0.91 ALDH1A1 (1.00) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL15901736 0.91 ALDH1A1 (0.71) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL13381620 0.91 LMNA (1.00) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL82686 0.91 LMNA (0.71) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL13215736 0.91 ALDH1A1 (0.70) LMNAALDH1A1POLBMEN1KMT2A

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
US-6288224-B1 Preparation of n-arylmethyl aziridine derivatives, 1,4,7,10-tetraazacyclododecane derivatives obtained therefrom and n-arylethyl-ethanolamine sulphonate esters as intermediates NYCOMED SALUTAR, INC. 2001-09-11 US disclosed
US-6048979-A CYCLOTETRAMERIZING, CLEAVAGE OF ARYLMETHYL GROUPS TO PREPARE CYCLEN AND DERIVATIVES NYCOMED SALUTAR, INC. (US) 2000-04-11 US disclosed