SCHEMBL6884034

SCHEMBL6884034

O=C1N[C@H]2[C@H](CS[C@H]2CCCC(NCCCCCCO)C(=O)O)N1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HLCS P50747 6/20 0.65
TDP1 Q9NUW8 5/20 0.55
MEN1 O00255 1/20 0.53
ABL1 P00519 1/20 0.53
LMNA P02545 1/20 0.53
PKM P14618 1/20 0.53
IDE P14735 1/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 1/20 0.53
RIN1 Q13671 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
FOLH1 Q04609 3/20 0.50
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CAPN1 P07384 2/20 0.42

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
SCHEMBL8578177 0.91 TDP1 (0.54) HLCSTDP1MEN1ABL1LMNA
SCHEMBL2513356 0.91 TDP1 (0.67) HLCSTDP1MEN1ABL1LMNA
SCHEMBL2514439 0.91 TDP1 (0.67) HLCSTDP1MEN1ABL1LMNA
SCHEMBL3120163 0.91 TDP1 (0.54) HLCSTDP1MEN1ABL1LMNA
SCHEMBL9241448 0.90 TDP1 (0.61) HLCSTDP1MEN1ABL1LMNA
SCHEMBL712974 0.89 HLCS (0.62) HLCSTDP1MEN1ABL1LMNA
SCHEMBL6883588 0.89 TDP1 (0.52) HLCSTDP1MEN1ABL1LMNA
SCHEMBL4295408 0.89 TDP1 (0.52) HLCSTDP1MEN1ABL1LMNA
SCHEMBL2439518 0.88 HLCS (0.67) HLCSTDP1MEN1ABL1LMNA
SCHEMBL8760672 0.87 TDP1 (0.63) HLCSTDP1MEN1ABL1LMNA

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-6825331-B2 DIAGNOSTIC HYBRIDIZATION PROBES; BIOCHEMICAL CONJUGATION ISIS PHARMACEUTICALS, INC. 2004-11-30 US disclosed