SCHEMBL7689535

SCHEMBL7689535

CCC(C)(/N=N/C(C)(CC)C(=N)N)C(=N)N

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
NOS1 P29475 2/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
NOS3 P29474 1/20 0.31
CYP2C19 P33261 1/20 0.31
NOS2 P35228 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
SCHEMBL16892626 1.00 CYP2D6 (0.46) CYP2D6ALDH1A1CYP3A4MAPTNOS1
Hydrochloric Acid SCHEMBL5448605 0.97 ALDH1A1 (0.50) CYP2D6ALDH1A1CYP3A4MAPT
Hydrochloric Acid SCHEMBL3713089 0.97 ALDH1A1 (0.50) CYP2D6ALDH1A1CYP3A4MAPT
SCHEMBL16892633 0.80 ALDH1A1 (0.42) CYP2D6ALDH1A1CYP3A4MAPTNOS1
SCHEMBL16892631 0.80 ALDH1A1 (0.42) CYP2D6ALDH1A1CYP3A4MAPTNOS1
Hydrochloric Acid SCHEMBL10779549 0.78 ALDH1A1 (0.46) CYP2D6ALDH1A1CYP3A4MAPTNOS1
Hydrochloric Acid SCHEMBL10779554 0.78 ALDH1A1 (0.46) CYP2D6ALDH1A1CYP3A4MAPTNOS1
Hydrochloric Acid SCHEMBL10778851 0.75 ALDH1A1 (0.48) CYP2D6ALDH1A1CYP3A4MAPT
Hydrochloric Acid SCHEMBL10778856 0.75 ALDH1A1 (0.48) CYP2D6ALDH1A1CYP3A4MAPT
Hydrochloric Acid SCHEMBL887962 0.75 ALDH1A1 (0.59) CYP2D6ALDH1A1CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002024795-A1 THERMOPLASTIC ELASTOMERS AND POLYMERS DERIVED FROM RECYCLED RUBBER AND PLASTICS UNIVERSITY OF MASSACHUSETTS (US) 2002-03-28 WO claimed
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