SCHEMBL13638862

SCHEMBL13638862

COCCN(C)Cc1ccc(N=O)c(C(=O)NC2CCOCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.39
KDM1A O60341 2/20 0.38
GRM1 Q13255 3/20 0.36
HPGDS O60760 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PDE4B Q07343 3/20 0.35
LTA4H P09960 1/20 0.35
ACHE P22303 2/20 0.35
BRD4 O60885 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
BCHE P06276 1/20 0.35
ENPP2 Q13822 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35

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
SCHEMBL13162025 0.87 TSHR (0.43) NTRK1KDM1AGRM1HPGDSHDAC11
SCHEMBL13162538 0.86 NTRK1 (0.40) NTRK1KDM1AGRM1HPGDSHDAC11
SCHEMBL13163923 0.83 ALDH1A1 (0.48) NTRK1KDM1ANPC1RAB9ABRD4
SCHEMBL13638844 0.79 KDM4E (0.47) NPC1RAB9AHDAC6
SCHEMBL13638856 0.77 HPGDS (0.54) KDM1AHPGDSNPC1RAB9APDE4B
SCHEMBL13638929 0.76 TSHR (0.44) NTRK1KDM1ANPC1RAB9ABRD4
SCHEMBL13162671 0.76 TSHR (0.44) NTRK1KDM1ANPC1RAB9ABRD4
SCHEMBL13634274 0.73 ALDH1A1 (0.50) NTRK1NPC1RAB9ABRD4SMYD3
SCHEMBL13638807 0.73 ALDH1A1 (0.47) NPC1RAB9A
SCHEMBL13638947 0.71 IRAK4 (0.42) NTRK1BRD4

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
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed