SCHEMBL27717201

SCHEMBL27717201

CC(=O)Oc1cn(-c2cccc([N+](=O)[O-])c2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45
TUBA1A Q71U36 1/20 0.45
TUBA1C Q9BQE3 1/20 0.45
TUBB6 Q9BUF5 1/20 0.45
TUBB2B Q9BVA1 1/20 0.45
TUBB1 Q9H4B7 1/20 0.45
FGFR1 P11362 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HSP90AA1 P07900 1/20 0.42
CCR6 P51684 1/20 0.42

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
SCHEMBL12191226 0.81 SMN1; SMN2 (0.51) SMN1; SMN2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL27467903 0.80 MAPT (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1879440 0.78 MEN1 (0.51) SMN1; SMN2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6756946 0.78 FGFR1 (0.50) SMN1; SMN2FGFR1ALDH1A1HPNKEAP1
SCHEMBL1880372 0.77 TP53 (0.48) SMN1; SMN2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2498081 0.76 MLLT3 (0.46) SMN1; SMN2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2493717 0.76 ALDH1A1 (0.50) SMN1; SMN2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14977404 0.76 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1HSP90AA1CCR6PDE4B
SCHEMBL2497173 0.75 MLLT3 (0.46) SMN1; SMN2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3772778 0.75 FGFR1 (0.50) FGFR1ALDH1A1HPNKEAP1NFE2L2

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-101282942-A Imidazole derivatives for the treatment of anxiety and related diseases NEUROSEARCH AS (DK) 2008-10-08 CN disclosed