SCHEMBL12450329

SCHEMBL12450329

CNC(=N)CSC

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL23867548 0.77
SCHEMBL20852505 0.74
SCHEMBL6736948 0.70
SCHEMBL16595162 0.65
SCHEMBL1938703 0.65
SCHEMBL6690881 0.65
SCHEMBL420193 0.65
SCHEMBL4596022 0.65
SCHEMBL16438976 0.65
SCHEMBL13631878 0.63 LMNA (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024549-B2 Compound having affinity substance to soluble protein, cleavable portion and reactive group, or salt thereof AJINOMOTO CO., INC. (JP) 2024-07-02 US disclosed
US-11737992-B2 Sphingosine kinase Type 1 inhibitors and uses thereof ENZO THERAPEUTICS, INC. (US) 2023-08-29 US disclosed
US-9974758-B2 Sphingosine kinase type 1 inhibitors and uses thereof ENZO THERAPEUTICS, INC. (US) 2018-05-22 US disclosed
US-20160317472-A1 Sphingosine Kinase Type 1 Inhibitors and Uses Thereof ENZO THERAPEUTICS, INC. C/O ENZO BIOCHEM, INC. (US) 2016-11-03 US disclosed
US-9388121-B2 Sphingosine kinase type 1 inhibitors ENZO THERAPEUTICS, INC. (US) 2016-07-12 US disclosed
US-20130245321-A1 SPHINGOSINE KINASE TYPE 1 INHIBITORS VIRGINIA COMMONWEALTH UNIVERSITY 2013-09-19 US disclosed
US-8314151-B2 Sphingosine kinase type 1 inhibitors, and processes for using same ENZO THERAPEUTICS, INC. (US) 2012-11-20 US disclosed
US-20120237448-A9 SPHINGOSINE KINASE TYPE 1 INHIBITORS, AND PROCESSES FOR USING SAME VIRGINIA COMMONWEALTH UNIVERSITY 2012-09-20 US disclosed
US-20100278741-A1 Novel compositions including sphingosine kinase type 1 inhibitors, and processes for using same ENZO THERAPEUTICS, INC. C/O ENZO BIOCHEM, INC. 2010-11-04 US disclosed