SCHEMBL6578040

SCHEMBL6578040

CCCCCCCCCCCCN(NC(=N)N)C(=N)N.N=C(N)NNC(=N)N

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
DNM1 Q05193 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
GBA1 P04062 1/20 0.30

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
SCHEMBL6578066 1.00 SPHK2 (0.38) SPHK2SPHK1DNM1MEN1KMT2A
SCHEMBL7516844 0.95 SPHK1 (0.42) SPHK2SPHK1DNM1MEN1KMT2A
Hexane SCHEMBL18741268 0.82 SPHK2 (0.36) SPHK2SPHK1MEN1KMT2A
SCHEMBL28846842 0.76 SPHK1 (0.45) SPHK2SPHK1DNM1MEN1KMT2A
SCHEMBL6903893 0.76 SPHK1 (0.45) SPHK2SPHK1DNM1MEN1KMT2A
SCHEMBL10376820 0.70 ADH1C (0.35) SPHK2SPHK1DNM1MEN1KMT2A
SCHEMBL27094694 0.70 SPHK2 (0.36) SPHK2SPHK1DNM1MEN1KMT2A
Acetic Acid SCHEMBL29288398 0.69 SPHK1 (0.38) SPHK2SPHK1MEN1KMT2A
Hydrochloric Acid SCHEMBL3241508 0.69 SPHK1 (0.35) SPHK2SPHK1DNM1MEN1KMT2A
Hexane SCHEMBL11704983 0.69 CYP3A4 (0.42) SPHK2SPHK1MEN1KMT2ACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0864315-B1 Oral composition SUNSTAR INC (JP) 2004-12-15 EP disclosed
US-5972312-A COMPRISING CATIONIC BACTERICIDE AND HYDROXYPROPYLMETHYL CELLULOSE PACKED INTO CONTAINER CAPABLE OF EJECTING OR SPRAYING IN A PREDETERMINED AMOUNT; FOR TREATMENT AND PREVENTION OF ORAL DISEASES SUCH AS PERIODONTITIS, TOOTH DECAY SUNSTAR INC. (JP) 1999-10-26 US disclosed
EP-0864315-A2 Oral composition SUNSTAR INC. (JP) 1998-09-16 EP disclosed