SCHEMBL14769156

SCHEMBL14769156

CCNC(=N)N1CCN(C)CC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MGLL Q99685 2/20 0.40
PHGDH O43175 1/20 0.40
KDM4E B2RXH2 6/20 0.40
TDP1 Q9NUW8 2/20 0.40
HTR1A P08908 1/20 0.39
CYP1A2 P05177 1/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.36
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
ATM Q13315 1/20 0.33

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
SCHEMBL20752315 0.83 KDM4E (0.53) KMT2AMGLLPHGDHKDM4ETDP1
SCHEMBL8283794 0.82 KMT2A (0.43) KMT2AMGLLPHGDHKDM4ETDP1
SCHEMBL8335750 0.80 F2 (0.46) KMT2AMGLLPHGDHKDM4ETDP1
SCHEMBL8335248 0.79 KMT2A (0.52) KMT2AKDM4ETDP1CYP1A2ALDH1A1
SCHEMBL26631959 0.77 KMT2A (0.43) KMT2APHGDHHTT
SCHEMBL16791189 0.77 CYP1A2 (0.44) KMT2AMGLLPHGDHTDP1HTR1A
SCHEMBL17383667 0.76 TDP1 (0.38) KMT2AMGLLPHGDHKDM4ETDP1
Hydrochloric Acid SCHEMBL15538853 0.75 CYP1A2 (0.42) KMT2AMGLLPHGDHTDP1HTR1A
SCHEMBL4945446 0.75 CYP1A2 (0.42) MGLLPHGDHKDM4ETDP1HTR1A
SCHEMBL12980332 0.75 TDP1 (0.42) MGLLPHGDHKDM4ETDP1HTR1A

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
WO-2013036869-A2 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2013-03-14 WO disclosed