SCHEMBL10695875

SCHEMBL10695875

O=[C]CCNCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
MAOA P21397 1/20 0.57
CHRM2 P08172 1/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
SIGMAR1 Q99720 3/20 0.52
DRD4 P21917 1/20 0.48
ADH1B P00325 1/20 0.47
ADH1C P00326 1/20 0.47
ADH1A P07327 1/20 0.47
ADH7 P40394 1/20 0.47
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
NCOR2 Q9Y618 2/20 0.46
MPO P05164 1/20 0.46
DPP7 Q9UHL4 1/20 0.46

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
SCHEMBL3713617 0.88 MAOA (0.64) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL7057730 0.86 MAOA (0.68) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL8812199 0.85 MAOA (0.71) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL10767037 0.82 SIGMAR1 (0.59) GAAMAPTSIGMAR1DRD4CA12
SCHEMBL5764 0.79 MEN1 (1.00) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL8831156 0.79 MEN1 (0.64) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL421501 0.79 MEN1 (0.64) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL691630 0.78 MEN1 (0.56) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL6098798 0.78 MEN1 (0.68) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL5040570 0.77 MEN1 (0.94) MEN1KMT2ATDP1MAOACHRM2

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
EP-0252482-A2 7-Acyloxy-6-aminoacyloxypolyoxylabdanes, process for their preparation and their use as medicine HOECHST AKTIENGESELLSCHAFT (DE) 1988-01-13 EP disclosed