SCHEMBL7801786

SCHEMBL7801786

CCc1nc(C)[nH]c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
MAPT P10636 5/20 0.45
GAA P10253 3/20 0.42
MDM2 Q00987 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
GFER P55789 1/20 0.35
HTT P42858 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
SCHEMBL8663859 0.82 MAPT (0.47) ALDH1A1MAPTGAAMDM2SMN1; SMN2
SCHEMBL4413021 0.82 MAPT (0.44) ALDH1A1MAPTGAAMDM2SMN1; SMN2
SCHEMBL8803147 0.81 MAPT (0.46) ALDH1A1MAPTGAAMDM2SMN1; SMN2
SCHEMBL8594839 0.79 ALDH1A1 (0.46) ALDH1A1MAPTGAAMDM2SMN1; SMN2
SCHEMBL3469591 0.79 MAPT (0.49) ALDH1A1MAPTGAAMDM2SMN1; SMN2
SCHEMBL4269080 0.79 MAPT (0.49) ALDH1A1MAPTGAAMDM2SMN1; SMN2
SCHEMBL11873545 0.78 ALDH1A1 (0.42) ALDH1A1MAPTGAAMDM2SMN1; SMN2
SCHEMBL1026028 0.78 MAPT (0.41) ALDH1A1MAPTGAAMDM2SMN1; SMN2
Hydrochloric Acid SCHEMBL4618823 0.77 MAPT (0.47) ALDH1A1MAPTGAAMDM2SMN1; SMN2
SCHEMBL3986231 0.77 MAPT (0.47) ALDH1A1MAPTGAAMDM2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0956016-A4 PHARMACEUTICAL COMPOUNDS COMPRISING POLYAMINES SUBSTITUTED WITH ELECTRON-AFFINIC GROUPS UNIV FLORIDA STATE (US) 2001-11-14 EP disclosed
EP-0956016-A1 PHARMACEUTICAL COMPOUNDS COMPRISING POLYAMINES SUBSTITUTED WITH ELECTRON-AFFINIC GROUPS Florida State University (US) 1999-11-17 EP disclosed
WO-1998014190-A9 PHARMACEUTICAL COMPOUNDS COMPRISING POLYAMINES SUBSTITUTED WITH ELECTRON-AFFINIC GROUPS 1998-07-30 WO disclosed
WO-1998014190-A1 PHARMACEUTICAL COMPOUNDS COMPRISING POLYAMINES SUBSTITUTED WITH ELECTRON-AFFINIC GROUPS FLORIDA STATE UNIVERSITY (US) 1998-04-09 WO disclosed