SCHEMBL8433797

SCHEMBL8433797

N#Cc1ccc(CC(=O)N2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])c1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
HTT P42858 5/20 0.48
ALDH1A1 P00352 4/20 0.48
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KMT2A Q03164 3/20 0.47
TACR3 P29371 1/20 0.46
TP53 P04637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RAB9A P51151 1/20 0.44
MEN1 O00255 2/20 0.43
NPBWR1 P48145 1/20 0.43
MCHR1 Q99705 1/20 0.43
CCR3 P51677 1/20 0.43
THRB P10828 1/20 0.43
POLB P06746 1/20 0.42
MGLL Q99685 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
SCHEMBL7400815 0.79 TACR3 (0.57) ALDH1A1MAPTKMT2ATACR3TP53
SCHEMBL23682656 0.71 TACR3 (0.83) GAAALDH1A1LMNAMAPTKMT2A
SCHEMBL9785880 0.69 TACR3 (0.57) ALDH1A1KMT2ATACR3TP53HSD17B10
SCHEMBL6485095 0.68 ALDH1A1 (0.64) GAAALDH1A1LMNAKMT2ATACR3
SCHEMBL7362106 0.68 ALDH1A1 (0.64) GAAALDH1A1LMNAKMT2ATACR3
SCHEMBL7370375 0.67 KMT2A (0.54) GAAHTTALDH1A1LMNASMN1; SMN2
SCHEMBL18435561 0.67 POLB (0.71) GAAALDH1A1TDP1KMT2ATACR3
SCHEMBL27182285 0.67 HTT (0.80) HTTALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL8719887 0.66 XDH (0.37) GAAHTTALDH1A1LMNAKMT2A
SCHEMBL2243090 0.66 ALDH1A1 (0.64) GAAALDH1A1LMNAKMT2ATACR3

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-5886191-A ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 1999-03-23 US disclosed