SCHEMBL13624959

SCHEMBL13624959

CCCCNC(=O)CCCCC1SC[C@@H]2NC(=O)N[C@H]12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.70
▸ HLCS P50747 2/20 0.68
▸ MEN1 O00255 1/20 0.64
▸ ABL1 P00519 1/20 0.64
▸ LMNA P02545 1/20 0.64
▸ PKM P14618 1/20 0.64
▸ IDE P14735 1/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ RIN1 Q13671 1/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.64
▸ CA12 O43570 2/20 0.62
▸ CA1 P00915 2/20 0.62
▸ CA2 P00918 2/20 0.62
▸ CA9 Q16790 2/20 0.62
▸ CNR1 P21554 2/20 0.61
▸ F2 P00734 1/20 0.61
▸ PRSS1 P07477 1/20 0.61
▸ PRSS2 P07478 1/20 0.61
▸ PRSS3 P35030 1/20 0.61

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
SCHEMBL267544 1.00 TDP1 (0.70) TDP1HLCSMEN1ABL1LMNA
SCHEMBL13621820 1.00 TDP1 (0.70) TDP1HLCSMEN1ABL1LMNA
SCHEMBL14600797 1.00 TDP1 (0.70) TDP1HLCSMEN1ABL1LMNA
SCHEMBL12085208 1.00 TDP1 (0.70) TDP1HLCSMEN1ABL1LMNA
SCHEMBL17704089 0.97 TDP1 (0.72) TDP1HLCSMEN1ABL1LMNA
SCHEMBL8240579 0.97 TDP1 (0.72) TDP1HLCSMEN1ABL1LMNA
SCHEMBL6941477 0.97 TDP1 (0.72) TDP1HLCSMEN1ABL1LMNA
SCHEMBL15870672 0.95 HLCS (0.71) TDP1HLCSMEN1ABL1LMNA
SCHEMBL22493325 0.95 HLCS (0.71) TDP1HLCSMEN1ABL1LMNA
SCHEMBL12320610 0.95 HLCS (0.71) TDP1HLCSMEN1ABL1LMNA

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
WO-2009134942-A1 ASSAY FOR PATHOGENIC CONFORMERS NOVARTIS AG. (CH) 2009-11-05 — — WO disclosed
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