SCHEMBL8535566

SCHEMBL8535566

Cc1cccc(CN2CCN(CCN(Cc3cccc([N+](=O)[O-])c3)C3CCCCCC3)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 4/20 0.49
TDP1 Q9NUW8 1/20 0.49
SIGMAR1 Q99720 4/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CACNB4 O00305 1/20 0.47
CACNA1A O00555 1/20 0.47
CACNA1G O43497 1/20 0.47
CACNG3 O60359 1/20 0.47
CACNA1F O60840 1/20 0.47
CACNA1H O95180 1/20 0.47
CACNB3 P54284 1/20 0.47
CACNA2D1 P54289 1/20 0.47
CACNG7 P62955 1/20 0.47
CACNA1B Q00975 1/20 0.47
CACNA1D Q01668 1/20 0.47
CACNB1 Q02641 1/20 0.47
CACNG1 Q06432 1/20 0.47
CACNB2 Q08289 1/20 0.47

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
SCHEMBL8539540 0.94 MEN1 (0.53) ALDH1A1KDM4ETDP1SIGMAR1MEN1
SCHEMBL8537850 0.91 MEN1 (0.53) ALDH1A1KDM4ETDP1SIGMAR1MEN1
SCHEMBL8536070 0.89 MEN1 (0.48) ALDH1A1KDM4ETDP1SIGMAR1MEN1
SCHEMBL8587999 0.88 SIGMAR1 (0.48) ALDH1A1KDM4ETDP1SIGMAR1MEN1
SCHEMBL8540907 0.87 ALDH1A1 (0.48) ALDH1A1KDM4ETDP1SIGMAR1MEN1
SCHEMBL8537749 0.87 ALDH1A1 (0.48) ALDH1A1KDM4ETDP1SIGMAR1MEN1
SCHEMBL8540476 0.86 KCNJ1 (0.51) ALDH1A1KDM4ETDP1SIGMAR1MEN1
SCHEMBL8539105 0.86 KCNJ1 (0.51) ALDH1A1KDM4ETDP1SIGMAR1MEN1
SCHEMBL8536918 0.82 ALDH1A1 (0.53) ALDH1A1KDM4ESIGMAR1MEN1KMT2A
SCHEMBL8537719 0.81 SLC6A2 (0.45) ALDH1A1KDM4E

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