SCHEMBL7801150

SCHEMBL7801150

Cc1nc(C(N)CCCCN)c([N+](=O)[O-])[nH]1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MAPT P10636 5/20 0.39
GAA P10253 2/20 0.36
MDM2 Q00987 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM4E B2RXH2 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
KAT2B Q92831 1/20 0.30

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
SCHEMBL7801148 0.83 ALDH1A1 (0.40) ALDH1A1MAPTGAAMDM2SMN1; SMN2
SCHEMBL7805224 0.77 MAPT (0.39) ALDH1A1MAPTGAAMDM2SMN1; SMN2
SCHEMBL7801102 0.76 MAPT (0.39) ALDH1A1MAPTGAAMDM2SMN1; SMN2
Hydrochloric Acid SCHEMBL7803784 0.75 MAPT (0.38) ALDH1A1MAPTGAAMDM2SMN1; SMN2
SCHEMBL7795295 0.72 MAPT (0.40) ALDH1A1MAPTGAAMDM2SMN1; SMN2
SCHEMBL4269080 0.67 MAPT (0.49) ALDH1A1MAPTGAAMDM2SMN1; SMN2
SCHEMBL8463831 0.66 ALDH1A1 (0.44) ALDH1A1MAPTGAAMDM2SMN1; SMN2
Hydrochloric Acid SCHEMBL4618823 0.65 MAPT (0.47) ALDH1A1MAPTGAAMDM2SMN1; SMN2
SCHEMBL9542886 0.65 ALDH1A1 (0.43) ALDH1A1MAPTGAAMDM2SMN1; SMN2
SCHEMBL9542100 0.64 ALDH1A1 (0.43) 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 7 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-0830357-A4 RADIOSENSITIZING DIAMINES AND THEIR PHARMACEUTICAL PREPARATIONS UNIV FLORIDA STATE (US) 2000-01-19 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
EP-0830357-A1 RADIOSENSITIZING DIAMINES AND THEIR PHARMACEUTICAL PREPARATIONS FLORIDA STATE UNIVERSITY (US) 1998-03-25 EP disclosed
WO-1996030365-A1 RADIOSENSITIZING DIAMINES AND THEIR PHARMACEUTICAL PREPARATIONS FLORIDA STATE UNIVERSITY (US) 1996-10-03 WO disclosed