SCHEMBL4321653

SCHEMBL4321653

O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 6/20 0.72
▸ CA1 P00915 6/20 0.72
▸ CA2 P00918 6/20 0.72
▸ CA9 Q16790 6/20 0.72
▸ TDP1 Q9NUW8 5/20 0.69
▸ PTPRF P10586 2/20 0.58
▸ PTPN2 P17706 2/20 0.58
▸ PTPN1 P18031 2/20 0.58
▸ PKM P14618 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ ABL1 P00519 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ IDE P14735 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ RIN1 Q13671 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ SLC6A3 Q01959 2/20 0.53
▸ ITGB1 P05556 1/20 0.51
▸ ITGA4 P13612 1/20 0.51

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
SCHEMBL9412854 0.86 CA12 (0.73) CA12CA1CA2CA9TDP1
SCHEMBL18413454 0.86 CA12 (0.57) CA12CA1CA2CA9TDP1
SCHEMBL19940249 0.85 CA12 (0.74) CA12CA1CA2CA9TDP1
SCHEMBL18329586 0.85 CA12 (0.74) CA12CA1CA2CA9TDP1
SCHEMBL12059002 0.85 CA12 (0.74) CA12CA1CA2CA9TDP1
SCHEMBL21524959 0.85 CA12 (0.78) CA12CA1CA2CA9TDP1
SCHEMBL14253654 0.85 CA12 (0.74) CA12CA1CA2CA9TDP1
SCHEMBL25374435 0.85 CA12 (0.74) CA12CA1CA2CA9TDP1
SCHEMBL565441 0.85 CA12 (0.74) CA12CA1CA2CA9TDP1
SCHEMBL18391007 0.85 CA12 (0.73) CA12CA1CA2CA9TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 — — EP disclosed
US-11573224-B2 Methods of detection using X-ray fluorescence ICAGEN, LLC (US) 2023-02-07 — — US disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 — — US disclosed
US-10877035-B2 Advanced drug development and manufacturing ICAGEN, LLC (US) 2020-12-29 — — US disclosed
US-20200278346-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ADJACENT ACQUISITION CO., LLC 2020-09-03 — — US disclosed
WO-2018204764-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION (US) 2018-11-08 — — WO disclosed
US-20150309021-A1 Advanced Drug Development and Manufacturing LOS ALAMOS NATIONAL SECURITY, LLC 2015-10-29 — — US disclosed
EP-2511844-B1 X-ray microscope XRPRO SCIENCES INC (US) 2015-08-12 — — EP disclosed
EP-2511844-A2 Advanced drug development and manufacturing Los Alamos National Security, LLC (US) 2012-10-17 — — EP disclosed
EP-2084519-B1 X-RAY FLUORESCENCE ANALYSIS METHOD LOS ALAMOS NAT SECURITY LLC (US) 2012-08-01 — — EP disclosed
EP-2084519-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING Los Alamos National Security, LLC (US) 2009-08-05 — — EP disclosed
WO-2008127291-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING LOS ALAMOS NATIONAL SECURITY, LLC (US) 2008-10-23 — — WO disclosed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 — — US disclosed
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