SCHEMBL28210458

SCHEMBL28210458

O=[N+]([O-])C1=CC=CN(C2CCCCC2)C1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL28289830 0.69
SCHEMBL28086053 0.68 SIRT6 (0.30)
SCHEMBL29210395 0.68
SCHEMBL1486699 0.68
SCHEMBL9523355 0.66
SCHEMBL28847539 0.65 ALDH1A1 (0.31) ALDH1A1
SCHEMBL7282705 0.63 MAPT (0.30) MAPT
SCHEMBL28277334 0.62
SCHEMBL17229535 0.62 SIRT2 (0.39) ALDH1A1SIRT2NPC1POLBMAPT
SCHEMBL15806427 0.62 SIRT2 (0.39) ALDH1A1SIRT2NPC1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105992768-B The Imidazopyridazine compounds of conditioning agent as the response of IL 12, IL 23 and/or IFN α 百时美施贵宝公司 2018-04-20 CN disclosed