SCHEMBL7719043

SCHEMBL7719043

Cn1c(-c2ccccc2[N+](=O)[O-])nc2c(C3OCCO3)cccc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.39
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 3/20 0.36
RXFP1 Q9HBX9 2/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
CFTR P13569 1/20 0.35
TYMS P04818 1/20 0.35
DCTPP1 Q9H773 1/20 0.35
KLK3 P07288 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL7254841 0.81 FBP1 (0.39) GAAMAPTLMNAALDH1A1PKM
SCHEMBL7717021 0.80 MGAM (0.54) HSD11B1MGAMGAASIMGAM2
SCHEMBL7713526 0.75 MGAM (0.44) HSD11B1MGAMGAASIMGAM2
SCHEMBL7718394 0.75 HSD11B1 (0.42) HSD11B1MGAMGAASIMGAM2
SCHEMBL7259190 0.75 TSHR (0.50) HSD11B1MGAMGAASIMGAM2
SCHEMBL7718401 0.73 GAA (0.62) MGAMGAASIMGAM2MAPT
SCHEMBL6514322 0.73 ALDH1A1 (0.62) HSD11B1GAAMAPTLMNAHTT
SCHEMBL7259179 0.71 ALDH1A1 (0.47) GAAMAPTLMNAHTTNPSR1
SCHEMBL5486010 0.71 HTT (0.44) GAAMAPTHTTALDH1A1PKM
SCHEMBL7718405 0.69 GUSB (0.52) MGAMGAASIMGAM2MAPT

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-6376664-B1 DETECTORS, CATALYST THE OHIO STATE UNIVERSITY 2002-04-23 US disclosed