SCHEMBL8540476

SCHEMBL8540476

N#Cc1cccc(CN(CCN2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C2CCCCCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.51
KCNH2 Q12809 1/20 0.51
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 4/20 0.45
TDP1 Q9NUW8 1/20 0.45
SIGMAR1 Q99720 4/20 0.44
MAPK1 P28482 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL8539105 1.00 KCNJ1 (0.51) KCNJ1KCNH2MEN1KMT2AALDH1A1
SCHEMBL8539540 0.92 MEN1 (0.53) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL8540937 0.90 SLC6A2 (0.47) KCNJ1KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL8537850 0.88 MEN1 (0.53) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL8536070 0.86 MEN1 (0.48) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL8535566 0.86 ALDH1A1 (0.49) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL8535949 0.86 SLC6A2 (0.46) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL8537749 0.85 ALDH1A1 (0.48) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL8540907 0.85 ALDH1A1 (0.48) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL8537719 0.84 SLC6A2 (0.45) ALDH1A1KDM4ESLC6A2SLC6A4SLC6A3

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-5817489-A BACTERICIDES, OR CHEMICAL INTERMEDIATES THEREOF; DRUG LIBRARIES ISIS PHARMACEUTICALS, INC. (US) 1998-10-06 US claimed