SCHEMBL19033019

SCHEMBL19033019

CCCCCCCCCCCCCCCCCc1noc([C@@H]2CCCN2C(=N)N)n1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SPHK2 Q9NRA0 19/20 0.68
▸ SPHK1 Q9NYA1 10/20 0.68

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
SCHEMBL15186367 1.00 SPHK2 (0.68) SPHK2SPHK1
SCHEMBL15186523 1.00 SPHK2 (0.68) SPHK2SPHK1
SCHEMBL15186370 1.00 SPHK2 (0.68) SPHK2SPHK1
Hydrochloric Acid SCHEMBL16933958 0.99 SPHK2 (0.69) SPHK2SPHK1
Hydrochloric Acid SCHEMBL16934097 0.99 SPHK2 (0.69) SPHK2SPHK1
Hydrochloric Acid SCHEMBL15176558 0.99 SPHK2 (0.69) SPHK2SPHK1
Hydrochloric Acid SCHEMBL16933959 0.99 SPHK2 (0.69) SPHK2SPHK1
Hydrochloric Acid SCHEMBL15176561 0.99 SPHK2 (0.69) SPHK2SPHK1
Hydrochloric Acid SCHEMBL16934099 0.99 SPHK2 (0.69) SPHK2SPHK1
SCHEMBL15175875 0.85 SPHK2 (0.51) SPHK2SPHK1

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-9688668-B2 Long chain base sphingosine kinase inhibitors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2017-06-27 — — US disclosed
US-9688668-B2 Long chain base sphingosine kinase inhibitors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2017-06-27 — — US disclosed
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