SCHEMBL6429906

SCHEMBL6429906

N=C(N)N(N)CS(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.33
BLM P54132 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2D6 P10635 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.31
SLC6A6 P31641 1/20 0.31

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
Sulfuric Acid SCHEMBL9861598 0.71 NPSR1 (0.36) CYP2C19BLMKDM4ECYP2D6NPSR1
Sulfuric Acid SCHEMBL9290734 0.71 NPSR1 (0.36) CYP2C19BLMKDM4ECYP2D6NPSR1
Sulfuric Acid SCHEMBL3475189 0.69 KDM4E (0.48) CYP2C19BLMKDM4ECYP2D6NPSR1
SCHEMBL11406977 0.66
SCHEMBL8390330 0.65
Sulfuric Acid SCHEMBL10751111 0.65 KDM4E (0.50) CYP2C19BLMKDM4ECYP2D6NPSR1
SCHEMBL4742316 0.64
Guanidine SCHEMBL8638683 0.64 BLM (0.48) CYP2C19BLMKDM4ECYP2D6NPSR1
Hydrochloric Acid SCHEMBL11409292 0.64 GRIN2D (0.30)
SCHEMBL9473153 0.63 BLM (0.33) CYP2C19BLMKDM4ELMNASLC6A6

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
EP-1501558-A1 RESORBABLE PHARMACEUTICAL FORMULATION FOR THE CONTINUOUS RELEASE OF THROMBIN Rheinisch-Westfälische Technische Hochschule Aachen (RWTH) (DE) 2005-02-02 EP disclosed
WO-2003094983-A1 RESORBABLE PHARMACEUTICAL FORMULATION FOR THE CONTINUOUS RELEASE OF THROMBIN Rheinisch-Westfälische Technische Hochschule Aachen (RWTH) (DE) 2003-11-20 WO disclosed