SCHEMBL13634183

SCHEMBL13634183

CC1CCN(Cc2ccc([N+](=O)[O-])c(C(=O)NC3CCOCC3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MCHR1 Q99705 2/20 0.48
ACHE P22303 1/20 0.47
KDM4E B2RXH2 2/20 0.47
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DRD4 P21917 1/20 0.46
SIGMAR1 Q99720 2/20 0.45
POLB P06746 2/20 0.44
FGFR1 P11362 1/20 0.44
FGFR2 P21802 1/20 0.44
FGFR3 P22607 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL2770332 0.91 ALDH1A1 (0.55) ALDH1A1MCHR1KDM4EKMT2ANPC1
SCHEMBL13162755 0.91 ALDH1A1 (0.52) ALDH1A1MCHR1KDM4EKMT2ANPC1
SCHEMBL13162753 0.90 ALDH1A1 (0.49) ALDH1A1MCHR1KDM4EKMT2ANPC1
SCHEMBL13634234 0.88 ALDH1A1 (0.47) ALDH1A1MCHR1KDM4EKMT2ANPC1
SCHEMBL2772464 0.88 ALDH1A1 (0.45) ALDH1A1MCHR1KDM4EKMT2ANPC1
SCHEMBL13638860 0.82 ALDH1A1 (0.45) ALDH1A1MCHR1KDM4EKMT2ANPC1
SCHEMBL13634261 0.81 SIRT6 (0.51) ALDH1A1ACHEKDM4EPOLB
SCHEMBL2770947 0.81 ALDH1A1 (0.57) ALDH1A1KMT2ANPC1RAB9APOLB
SCHEMBL13634373 0.78 KMT2A (0.57) ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL13162043 0.78 KDM4E (0.59) ALDH1A1KDM4EKMT2ANPC1RAB9A

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