SCHEMBL28890377

SCHEMBL28890377

[Co].c1cn(-c2cnnnn2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.39
CYP2A6 P11509 1/20 0.39
MAPT P10636 4/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
CYP1A2 P05177 3/20 0.36
CYP2D6 P10635 3/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ENPP2 Q13822 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
NOTUM Q6P988 1/20 0.36
ALOX15 P16050 2/20 0.36
TSHR P16473 2/20 0.36
CYP2C19 P33261 2/20 0.36
CLK4 Q9HAZ1 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL28682497 0.71
SCHEMBL28581728 0.70 MAPT (0.61) CYP3A4CYP2A6MAPTLOXL2CYP1A2
SCHEMBL31241182 0.70 MAPT (0.61) CYP3A4CYP2A6MAPTLOXL2CYP1A2
SCHEMBL4675590 0.67 MAPT (0.49) CYP3A4CYP2A6MAPTLOXL2CYP1A2
SCHEMBL12470705 0.65 LOXL2 (0.47) CYP3A4CYP2A6MAPTLOXL2CYP1A2
SCHEMBL16923117 0.64 CYP3A4 (0.54) CYP3A4CYP2A6MAPTCYP1A2CYP2D6
SCHEMBL9471750 0.63 LOXL2 (0.45) CYP3A4CYP2A6MAPTLOXL2CYP1A2
SCHEMBL22407121 0.63 SMN1; SMN2 (0.40) CYP3A4CYP2A6MAPTLOXL2CYP1A2
SCHEMBL27639568 0.63 CYP3A4 (0.39) CYP3A4CYP2A6MAPTLOXL2CYP1A2
SCHEMBL4738143 0.63 CYP3A4 (0.39) CYP3A4CYP2A6MAPTLOXL2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110813362-B High-nitrogen-content carbon nanotube catalyst and preparation method and application thereof 湘潭大学 2022-09-20 CN disclosed
CN-110813362-A High-nitrogen-content carbon nanotube catalyst and preparation method and application thereof 湘潭大学 2020-02-21 CN disclosed