SCHEMBL16892633

SCHEMBL16892633

CCCC(C)(N=NC(C)(CCC)C(=N)N)C(=N)N

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CYP2D6 P10635 1/20 0.42
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
SPHK2 Q9NRA0 1/20 0.30
SPHK1 Q9NYA1 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
SCHEMBL16892631 1.00 ALDH1A1 (0.42) ALDH1A1CYP3A4MAPTCYP2D6LMNA
Hydrochloric Acid SCHEMBL10779549 0.98 ALDH1A1 (0.46) ALDH1A1CYP3A4MAPTCYP2D6LMNA
Hydrochloric Acid SCHEMBL10779554 0.98 ALDH1A1 (0.46) ALDH1A1CYP3A4MAPTCYP2D6LMNA
Hydrochloric Acid SCHEMBL10778963 0.85 ALDH1A1 (0.43) ALDH1A1CYP3A4MAPTCYP2D6NOS3
Hydrochloric Acid SCHEMBL10778967 0.85 ALDH1A1 (0.43) ALDH1A1CYP3A4MAPTCYP2D6NOS3
SCHEMBL7689535 0.80 CYP2D6 (0.46) ALDH1A1CYP3A4MAPTCYP2D6NOS3
SCHEMBL16892626 0.80 CYP2D6 (0.46) ALDH1A1CYP3A4MAPTCYP2D6NOS3
Hydrochloric Acid SCHEMBL3713089 0.78 ALDH1A1 (0.50) ALDH1A1CYP3A4MAPTCYP2D6
Hydrochloric Acid SCHEMBL5448605 0.78 ALDH1A1 (0.50) ALDH1A1CYP3A4MAPTCYP2D6
SCHEMBL16892616 0.73 ALDH1A1 (0.39) ALDH1A1CYP3A4MAPTCYP2D6LMNA

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-2894043-B1 Recording medium CANON KK (JP) 2017-02-22 EP disclosed
US-20150197115-A1 RECORDING MEDIUM CANON KABUSHIKI KAISHA (JP) 2015-07-16 US disclosed
EP-2894043-A1 Recording medium Canon Kabushiki Kaisha (JP) 2015-07-15 EP disclosed