SCHEMBL7122397

SCHEMBL7122397

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

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.61
MEN1 O00255 1/20 0.61
ABL1 P00519 1/20 0.61
LMNA P02545 1/20 0.61
PKM P14618 1/20 0.61
IDE P14735 1/20 0.61
MAPK1 P28482 1/20 0.61
KMT2A Q03164 1/20 0.61
RIN1 Q13671 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
HLCS P50747 6/20 0.56
CA12 O43570 5/20 0.43
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA9 Q16790 5/20 0.43
FOLH1 Q04609 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
SCHEMBL1936659 0.86 TDP1 (0.65) TDP1MEN1ABL1LMNAPKM
SCHEMBL487045 0.85 TDP1 (0.68) TDP1MEN1ABL1LMNAPKM
SCHEMBL8534380 0.85 TDP1 (0.64) TDP1MEN1ABL1LMNAPKM
SCHEMBL425273 0.84 TDP1 (0.67) TDP1MEN1ABL1LMNAPKM
SCHEMBL6036962 0.83 TDP1 (0.65) TDP1MEN1ABL1LMNAPKM
SCHEMBL6803047 0.83 HLCS (0.62) TDP1MEN1ABL1LMNAPKM
SCHEMBL3827268 0.83 TDP1 (0.58) TDP1MEN1ABL1LMNAPKM
SCHEMBL629531 0.82 TDP1 (0.74) TDP1MEN1ABL1LMNAPKM
SCHEMBL875085 0.82 TDP1 (0.64) TDP1MEN1ABL1LMNAPKM
SCHEMBL5592430 0.82 TDP1 (0.64) TDP1MEN1ABL1LMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6667387-B1 Immunodominant epitope identified in the gp41 region of the HIV- 1 strain Ant70; in vitro determination of HIV-1-specific antibodies. N.V. INNOGENETICS S.A. (BE) 2003-12-23 US disclosed
US-6355616-B1 FUNGICIDE OLIGOPEOTIDES XOMA (US) TECHNOLOGY LTD. 2002-03-12 US disclosed
US-6210903-B1 AMINO ACID SEQUENCE WHICH IS OPTIONALLY MODIFIED AND BIOTINYLATED N. V. INNOGENETICS S. A. (BE) 2001-04-03 US disclosed
WO-2001000671-A1 DERIVATIVE COMPOUNDS XOMA TECHNOLOGY LTD. (US) 2001-01-04 WO disclosed
US-5891640-A USE OF THIS PEPTIDE, PARTICULARLY WHEN BIOTINYLATED IN THE FORM OF COMPLEXES OF STREPTAVIDIN-BIOTINYLATED PEPTIDES OR OF AVIDIN-BIOTINYLATED PEPTIDES, FOR THE IN VITRO DETERMINATION OF HIV-1-SPECIFIC ANTIBODIES N.V. INNOGENETICS S.A. (BE) 1999-04-06 US disclosed
EP-0589004-A1 PROCESS FOR THE DETERMINATION OF PEPTIDES CORRESPONDING TO IMMUNOLOGICALLY IMPORTANT EPITOPES AND THEIR USE IN A PROCESS FOR DETERMINATION OF ANTIBODIES OR BIOTINYLATED PEPTIDES CORRESPONDING TO IMMUNOLOGICALLY IMPORTANT EPITOPES, A PROCESS FOR PREPARING THEM AND COMPOSITIONS CONTAINING THEM N.V. INNOGENETICS S.A. (BE) 1994-03-30 EP disclosed