SCHEMBL9836641

SCHEMBL9836641

O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCCO

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.72
HLCS P50747 2/20 0.68
PKM P14618 2/20 0.65
MEN1 O00255 1/20 0.65
ABL1 P00519 1/20 0.65
LMNA P02545 1/20 0.65
IDE P14735 1/20 0.65
MAPK1 P28482 1/20 0.65
KMT2A Q03164 1/20 0.65
RIN1 Q13671 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
CA12 O43570 3/20 0.63
CA1 P00915 3/20 0.63
CA2 P00918 3/20 0.63
CA9 Q16790 3/20 0.63
PLCD1 P51178 1/20 0.58
F2 P00734 1/20 0.57
PRSS1 P07477 1/20 0.57
PRSS2 P07478 1/20 0.57
PRSS3 P35030 1/20 0.57

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
SCHEMBL18874899 1.00 TDP1 (0.72) TDP1HLCSPKMMEN1ABL1
SCHEMBL10063434 1.00 TDP1 (0.72) TDP1HLCSPKMMEN1ABL1
SCHEMBL14134804 0.96 TDP1 (0.74) TDP1HLCSPKMMEN1ABL1
SCHEMBL7849030 0.95 HLCS (0.73) TDP1HLCSPKMMEN1ABL1
SCHEMBL8704131 0.94 TDP1 (0.70) TDP1HLCSPKMMEN1ABL1
SCHEMBL16103873 0.94 TDP1 (0.70) TDP1HLCSPKMMEN1ABL1
SCHEMBL16625035 0.94 TDP1 (0.70) TDP1HLCSPKMMEN1ABL1
SCHEMBL12173391 0.94 TDP1 (0.70) TDP1HLCSPKMMEN1ABL1
SCHEMBL21206305 0.94 TDP1 (0.70) TDP1HLCSPKMMEN1ABL1
SCHEMBL15872096 0.94 TDP1 (0.70) TDP1HLCSPKMMEN1ABL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932213-B2 Solid phase synthesis with benzylidene linker attaching compound on glass slide; microarrays; drug screening PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-04-26 US disclosed
EP-0454706-A1 REAGENTS FOR THE PREPARATION OF 5'-BIOTINYLATED OLIGONUCLEOTIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-11-06 EP disclosed
WO-1990008153-A1 REAGENTS FOR THE PREPARATION OF 5'-BIOTINYLATED OLIGONUCLEOTIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-07-26 WO disclosed
US-4908453-A Reagents for the preparation of 5'-biotinylated oligonucleotides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-03-13 US disclosed