SCHEMBL8908892

SCHEMBL8908892

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41
DNM1 Q05193 3/20 0.35
KDM5A P29375 7/20 0.35
KDM4C Q9H3R0 6/20 0.35
PHF8 Q9UPP1 4/20 0.35
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
KDM5C P41229 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
KDM4A O75164 1/20 0.32
GBA1 P04062 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL28905825 0.83 CA12 (0.42) SPHK2SPHK1DNM1CA12CA1
SCHEMBL8499444 0.83 CA12 (0.42) SPHK2SPHK1DNM1CA12CA1
SCHEMBL2954535 0.83 CA12 (0.42) SPHK2SPHK1DNM1CA12CA1
SCHEMBL8498288 0.83 CA12 (0.42) SPHK2SPHK1DNM1CA12CA1
SCHEMBL8495268 0.83 CA12 (0.42) SPHK2SPHK1DNM1CA12CA1
Hydrochloric Acid SCHEMBL4483541 0.81 CA12 (0.41) SPHK2SPHK1DNM1CA12CA1
SCHEMBL28841120 0.81 SPHK1 (0.41) SPHK2SPHK1DNM1CA12CA1
Hydrochloric Acid SCHEMBL19371460 0.81 CA12 (0.41) SPHK2SPHK1DNM1CA12CA1
SCHEMBL28415126 0.81 CA12 (0.41) SPHK2SPHK1DNM1KDM5APHF8
SCHEMBL28417961 0.81 CA12 (0.41) SPHK2SPHK1DNM1KDM5APHF8

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-0508381-B1 Liquid composition for contact lenses and method for cleaning a contact lens TOMEI SANGYO KK (JP) 1997-09-03 EP disclosed
US-5281277-A Glycerol, boric acid or borate, protease TOMEI SANGYO KABUSHIKI KAISHA (JP) 1994-01-25 US disclosed
EP-0508381-A2 Liquid composition for contact lenses and method for cleaning a contact lens Tomei Sangyo Kabushiki Kaisha (JP) 1992-10-14 EP disclosed