SCHEMBL8081758

SCHEMBL8081758

O=[14C]=C(CCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ ABL1 P00519 1/20 0.67
▸ LMNA P02545 1/20 0.67
▸ PKM P14618 1/20 0.67
▸ IDE P14735 1/20 0.67
▸ MAPK1 P28482 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ RIN1 Q13671 1/20 0.67
▸ L3MBTL1 Q9Y468 1/20 0.67
▸ HLCS P50747 6/20 0.59
▸ CA12 O43570 7/20 0.47
▸ CA1 P00915 7/20 0.47
▸ CA2 P00918 7/20 0.47
▸ CA9 Q16790 7/20 0.47

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
SCHEMBL420464 0.85 TDP1 (0.72) TDP1MEN1ABL1LMNAPKM
SCHEMBL4314463 0.85 TDP1 (0.91) TDP1MEN1ABL1LMNAPKM
SCHEMBL16379530 0.85 TDP1 (0.91) TDP1MEN1ABL1LMNAPKM
SCHEMBL13958687 0.85 TDP1 (0.91) TDP1MEN1ABL1LMNAPKM
SCHEMBL16900247 0.85 TDP1 (0.91) TDP1MEN1ABL1LMNAPKM
SCHEMBL14543023 0.83 TDP1 (0.70) TDP1MEN1ABL1LMNAPKM
SCHEMBL9557437 0.83 TDP1 (0.69) TDP1MEN1ABL1LMNAPKM
SCHEMBL3262330 0.83 TDP1 (0.69) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL23055065 0.81 TDP1 (1.00) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL22943835 0.81 TDP1 (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6022951-A MODIFIED ANTIBIOTIC PEPTIDE FOR INCREASED OR DECREASED SENSITIVITY TO BIOTIN, AND METHODS FOR UTILIZING THESE PROTEINS IN DETECTION, ISOLATION AND PURIFICATION TECHNIQUES U.S. DEPARTMENT OF ENERGY 2000-02-08 — — US disclosed
EP-0856055-A1 STREPTAVIDIN MUTANTS TRUSTEES OF BOSTON UNIVERSITY (US) 1998-08-05 — — EP disclosed
WO-1997011183-A1 STREPTAVIDIN MUTANTS TRUSTEES OF BOSTON UNIVERSITY (US) 1997-03-27 — — WO disclosed
Send feedback