SCHEMBL13638860

SCHEMBL13638860

O=C1CN(Cc2ccc([N+](=O)[O-])c(C(=O)NC3CCOCC3)c2)CCN1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
FGFR1 P11362 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR3 P22607 1/20 0.41
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 3/20 0.41
MCHR1 Q99705 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
MEN1 O00255 1/20 0.39
DRD4 P21917 1/20 0.39
BRD4 O60885 1/20 0.38

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
SCHEMBL13163955 0.88 MCHR1 (0.49) FGFR1FGFR2FGFR3KDM4EKMT2A
SCHEMBL13162674 0.86 POLB (0.44) FGFR1FGFR2FGFR3KDM4EKMT2A
SCHEMBL13162755 0.85 ALDH1A1 (0.52) ALDH1A1FGFR1FGFR2FGFR3KDM4E
SCHEMBL2770332 0.83 ALDH1A1 (0.55) ALDH1A1FGFR1FGFR2FGFR3KDM4E
SCHEMBL13634183 0.82 ALDH1A1 (0.49) ALDH1A1FGFR1FGFR2FGFR3KDM4E
SCHEMBL13162753 0.82 ALDH1A1 (0.49) ALDH1A1FGFR1FGFR2FGFR3KDM4E
SCHEMBL13634234 0.80 ALDH1A1 (0.47) ALDH1A1FGFR1FGFR2FGFR3KDM4E
SCHEMBL13163918 0.80 SIRT6 (0.47) ALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL2772464 0.78 ALDH1A1 (0.45) ALDH1A1FGFR1FGFR2FGFR3KDM4E
SCHEMBL2770947 0.77 ALDH1A1 (0.57) ALDH1A1KMT2ANPC1RAB9AMEN1

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