SCHEMBL21606796

SCHEMBL21606796

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

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.68
▸ MEN1 O00255 1/20 0.68
▸ ABL1 P00519 1/20 0.68
▸ LMNA P02545 1/20 0.68
▸ PKM P14618 1/20 0.68
▸ IDE P14735 1/20 0.68
▸ MAPK1 P28482 1/20 0.68
▸ KMT2A Q03164 1/20 0.68
▸ RIN1 Q13671 1/20 0.68
▸ L3MBTL1 Q9Y468 1/20 0.68
▸ HLCS P50747 6/20 0.60
▸ CA12 O43570 6/20 0.58
▸ CA1 P00915 6/20 0.58
▸ CA2 P00918 6/20 0.58
▸ CA9 Q16790 6/20 0.58

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
SCHEMBL3239172 0.87 TDP1 (0.64) TDP1MEN1ABL1LMNAPKM
SCHEMBL12735654 0.86 TDP1 (0.73) TDP1MEN1ABL1LMNAPKM
SCHEMBL24411658 0.86 TDP1 (0.73) TDP1MEN1ABL1LMNAPKM
SCHEMBL10062840 0.86 TDP1 (0.73) TDP1MEN1ABL1LMNAPKM
SCHEMBL16601594 0.86 TDP1 (0.73) TDP1MEN1ABL1LMNAPKM
SCHEMBL9837113 0.85 TDP1 (0.68) TDP1MEN1ABL1LMNAPKM
SCHEMBL6836630 0.85 TDP1 (0.61) TDP1MEN1ABL1LMNAPKM
SCHEMBL276432 0.85 TDP1 (0.62) TDP1MEN1ABL1LMNAPKM
SCHEMBL26541733 0.85 TDP1 (0.65) TDP1MEN1ABL1LMNAPKM
SCHEMBL33865 0.85 TDP1 (0.71) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210325398-A1 TARGETED SIALIC ACID LABELING COMPOUNDS, METHODS, AND USES THEREOF MUSC FOUNDATION FOR RESEARCH DEVELOPMENT 2021-10-21 — — US disclosed
WO-2019243273-A1 GOLD (I)-PHOSPHINE 1,2,3-TRIAZOLE DERIVATIVES WITH ANTIOBIOTIC PROPERTIES UNIVERSITÉ DE STRASBOURG (FR) 2019-12-26 — — WO disclosed
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