SCHEMBL8540907

SCHEMBL8540907

O=[N+]([O-])c1cccc(CN2CCN(CCN(Cc3cccc(C(F)(F)F)c3)C3CCCCCC3)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 4/20 0.48
GAA P10253 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
SIGMAR1 Q99720 2/20 0.45
SERPINE1 P05121 1/20 0.44
MAPK1 P28482 3/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL8537749 1.00 ALDH1A1 (0.48) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL8539540 0.93 MEN1 (0.53) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL8535362 0.90 KDM4E (0.60) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL8536070 0.89 MEN1 (0.48) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL8537850 0.89 MEN1 (0.53) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL8535566 0.87 ALDH1A1 (0.49) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL8542251 0.86 KDM4E (0.54) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL8541455 0.85 KDM4E (0.54) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL8539105 0.85 KCNJ1 (0.51) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL8540476 0.85 KCNJ1 (0.51) ALDH1A1KDM4EMEN1KMT2ATDP1

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