SCHEMBL7516844

SCHEMBL7516844

CCCCCCN(NC(=N)N)C(=N)N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 4/20 0.42
SPHK2 Q9NRA0 1/20 0.42
DNM1 Q05193 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
GBA1 P04062 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32

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 0.95 SPHK2 (0.38) SPHK1SPHK2DNM1MEN1KMT2A
SCHEMBL6578040 0.95 SPHK2 (0.38) SPHK1SPHK2DNM1MEN1KMT2A
Hexane SCHEMBL18741268 0.87 SPHK2 (0.36) SPHK1SPHK2MEN1KMT2ANOS3
SCHEMBL28846842 0.80 SPHK1 (0.45) SPHK1SPHK2DNM1MEN1KMT2A
SCHEMBL6903893 0.80 SPHK1 (0.45) SPHK1SPHK2DNM1MEN1KMT2A
SCHEMBL10376820 0.74 ADH1C (0.35) SPHK1SPHK2DNM1MEN1KMT2A
SCHEMBL27094694 0.74 SPHK2 (0.36) SPHK1SPHK2DNM1MEN1KMT2A
Acetic Acid SCHEMBL29288398 0.73 SPHK1 (0.38) SPHK1SPHK2MEN1KMT2ATSHR
Hexane SCHEMBL11704983 0.73 CYP3A4 (0.42) SPHK1SPHK2MEN1KMT2ACA1
Hexane SCHEMBL5806464 0.73 CYP3A4 (0.42) SPHK1SPHK2MEN1KMT2ACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1026511-A None JP disclosed
EP-0938344-B1 METHOD FOR PROVIDING RAPID DISINFECTION OF CONTACT LENSES BAUSCH & LOMB (US) 2002-02-20 EP disclosed
US-5965088-A RUBBING CONTACT LENS WITH OPHTHALMICALLY SAFE DISINFECTING SOLUTION COMPRISING BIS(BIGUANIDES) AND SOAKING IN SOLUTION; INCREASED MICROBIOCIDAL EFFICACY OF THE SOLUTION ALLOWS MORE RAPID DISINFECTING REGIMENS FOR TREATING CONTACT LENSES BAUSCH & LOMB MEXICO, S.A. DE C.V. (MX) 1999-10-12 US disclosed
EP-0938344-A1 METHOD FOR PROVIDING RAPID DISINFECTION OF CONTACT LENSES BAUSCH & LOMB INCORPORATED (US) 1999-09-01 EP disclosed
US-5830437-A CROSSLINKED POLYACRYLIC ACID L'OREAL (FR) 1998-11-03 US disclosed
WO-1998020913-A1 METHOD FOR PROVIDING RAPID DISINFECTION OF CONTACT LENSES BAUSCH & LOMB INCORPORATED (US) 1998-05-22 WO disclosed
EP-0620724-B1 ORAL HYGIENE COMPOSITION AND PROCESS OREAL (FR) 1996-09-25 EP disclosed
EP-0620724-A1 ORAL HYGIENE COMPOSITION AND PROCESS. OREAL (FR) 1994-10-26 EP disclosed
WO-1993013747-A1 ORAL HYGIENE COMPOSITION AND PROCESS L'OREAL (FR) 1993-07-22 WO disclosed
JP-S6426511-A ANTIBACTERIAL ORAL COMPOSITION CONTAINING BIS-BIGUANIDEHEXANE WARNER LAMBERT CO 1989-01-27 JP disclosed
US-3984537-A DENTIFRICES CONTAINING ANTIBACTERIAL AGENTS COLGATE-PALMOLIVE COMPANY (US) 1976-10-05 US disclosed
US-3927201-A Dentifrices COLGATE PALMOLIVE CO 1975-12-16 US disclosed