SCHEMBL13634234

SCHEMBL13634234

CC(=O)N1CCN(Cc2ccc([N+](=O)[O-])c(C(=O)NC3CCOCC3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
FGFR1 P11362 1/20 0.45
FGFR2 P21802 1/20 0.45
FGFR3 P22607 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MCHR1 Q99705 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
DRD4 P21917 1/20 0.42
PDE4B Q07343 1/20 0.42
MAPT P10636 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
SCHEMBL13162753 0.90 ALDH1A1 (0.49) ALDH1A1KDM4ELMNAFGFR1FGFR2
SCHEMBL13162755 0.89 ALDH1A1 (0.52) ALDH1A1KDM4EFGFR1FGFR2FGFR3
SCHEMBL13634183 0.88 ALDH1A1 (0.49) ALDH1A1KDM4EFGFR1FGFR2FGFR3
SCHEMBL2770332 0.87 ALDH1A1 (0.55) ALDH1A1KDM4EFGFR1FGFR2FGFR3
SCHEMBL2772464 0.86 ALDH1A1 (0.45) ALDH1A1KDM4EFGFR1FGFR2FGFR3
SCHEMBL13638860 0.80 ALDH1A1 (0.45) ALDH1A1KDM4EFGFR1FGFR2FGFR3
SCHEMBL13634263 0.79 SIRT6 (0.51) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL2770947 0.79 ALDH1A1 (0.57) ALDH1A1LMNANPC1RAB9AKMT2A
SCHEMBL13634373 0.77 KMT2A (0.57) ALDH1A1LMNASMN1; SMN2KMT2AMAPT
SCHEMBL13163950 0.77 MCHR1 (0.55) KDM4EFGFR1FGFR2FGFR3SMN1; SMN2

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