SCHEMBL7716962

SCHEMBL7716962

O=Cc1ccccc1-c1cccc2nc(-c3ccccc3[N+](=O)[O-])[nH]c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 1/20 0.55
MGAM O43451 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
ERN1 O75460 2/20 0.43
NPBWR1 P48145 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
F2 P00734 2/20 0.41
C1R P00736 1/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PTGES O14684 1/20 0.40
F10 P00742 1/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
PLAT P00750 1/20 0.40
PRSS1 P07477 1/20 0.40

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
SCHEMBL7719025 0.93 GUSB (0.57) GUSBMGAMGAASIMGAM2
SCHEMBL7713539 0.80 MGAM (0.64) GUSBMGAMGAASIMGAM2
SCHEMBL7719023 0.78 MGAM (0.69) GUSBMGAMGAASIMGAM2
SCHEMBL6210201 0.77 ERN1 (0.58) MGAMGAASIMGAM2ERN1
SCHEMBL9044504 0.77 GUSB (0.56) GUSBMGAMGAASIMGAM2
SCHEMBL7718414 0.77 GUSB (0.60) GUSBMGAMGAASIMGAM2
SCHEMBL31679095 0.74 GUSB (0.68) GUSBMGAMGAASIMGAM2
SCHEMBL30336425 0.74 GUSB (0.68) GUSBMGAMGAASIMGAM2
SCHEMBL2872555 0.74 GUSB (0.68) GUSBMGAMGAASIMGAM2
SCHEMBL31049562 0.74 GUSB (0.53) GUSBMGAMGAASIMGAM2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

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