SCHEMBL13865393

SCHEMBL13865393

BNCCCN(CCCCN(CC(CCCCCCNC(=O)CC)CN(CCCCN(CCCNB)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 2/20 0.47
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
GAA P10253 1/20 0.31

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
SCHEMBL13865394 0.91 CA14 (0.48) CA14MEN1KMT2ATDP1CA12
SCHEMBL13865384 0.88 TDP1 (0.45) CA14MEN1KMT2ATDP1CA12
SCHEMBL16349495 0.80 CA14 (0.50) CA14MEN1KMT2ATDP1CA12
SCHEMBL13360044 0.80 CA14 (0.43) CA14TDP1CA12CA1CA2
SCHEMBL13327086 0.79 TDP1 (0.47) CA14MEN1KMT2ATDP1CA12
SCHEMBL13327079 0.79 TDP1 (0.60) CA14MEN1KMT2ATDP1CA12
SCHEMBL16349550 0.79 TDP1 (0.57) CA14MEN1KMT2ATDP1CA12
SCHEMBL9017295 0.78 CA14 (0.59) CA14MEN1KMT2ATDP1CA12
SCHEMBL13360023 0.78 DNM1 (0.43) CA14
SCHEMBL13868764 0.78 DNM1 (0.43) CA14

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
US-7531676-B2 Lipids CELLTECH R & D LIMITED (GB) 2009-05-12 US disclosed
US-7531676-B2 Lipids CELLTECH R & D LIMITED (GB) 2009-05-12 US disclosed