SCHEMBL13638740

SCHEMBL13638740

CC(c1ccc(N)c(C=O)c1)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
ACHE P22303 2/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
PRKDC P78527 1/20 0.37
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
LRRK2 Q5S007 1/20 0.36
OGA O60502 4/20 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
SCHEMBL2950856 0.76 ACHE (0.51) ALDH1A1MEN1KMT2AACHECYP3A4
SCHEMBL13163095 0.74 ALDH1A1 (0.45) AAK1ALDH1A1LMNATSHRLRRK2
SCHEMBL263756 0.74 LTA4H (0.49) LTA4HALDH1A1ACHEPIK3CACYP3A4
SCHEMBL15106443 0.73 TYR (0.56) ALDH1A1MEN1LMNAKMT2ACYP3A4
SCHEMBL3208009 0.72 PRKDC (0.63) ALDH1A1MEN1LMNAKMT2APIK3CD
SCHEMBL1203109 0.72 CYP2D6 (0.46) LTA4HALDH1A1ACHEPIK3CDCYP3A4
SCHEMBL6476590 0.69 GAA (0.41) LTA4HAAK1ALDH1A1LMNACYP3A4
SCHEMBL13163125 0.69 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ACYP3A4TSHR
SCHEMBL15418248 0.68 CSF1R (0.39) LTA4HACHECYP3A4TSHRCYP2C19
SCHEMBL19500870 0.68 ACHE (0.63) MEN1KMT2AACHECYP3A4OGA

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