SCHEMBL9583204

SCHEMBL9583204

CN/C(=N/[N+](=O)[O-])NCCCCO

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.39
TDP1 Q9NUW8 1/20 0.35
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
ATG4B Q9Y4P1 1/20 0.33
POLB P06746 1/20 0.32
ACHE P22303 6/20 0.30
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
NAAA Q02083 1/20 0.30

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
SCHEMBL9583209 1.00 KDM1A (0.39) KDM1ATDP1CA1CA2CA12
SCHEMBL25615884 0.86 KDM1A (0.43) KDM1A
SCHEMBL18665151 0.86 KDM1A (0.39) KDM1AACHE
SCHEMBL13186779 0.83 ALDH1A1 (0.39) KDM1ATDP1POLB
SCHEMBL19767302 0.81 KDM1A (0.36) KDM1A
SCHEMBL19161154 0.81 KDM1A (0.36) KDM1APOLB
SCHEMBL13968000 0.77 LMNA (0.36) POLB
SCHEMBL27524815 0.77 LMNA (0.36) POLB
SCHEMBL9511631 0.76 KDM1A (0.30) KDM1A
SCHEMBL3226475 0.76

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
JP-5310650-A None JP disclosed
JP-H05310650-A NEW AMINE DERIVATIVE ITS PRODUCTION AND INSECTICIDE NIPPON SODA CO LTD 1993-11-22 JP disclosed