SCHEMBL7795295

SCHEMBL7795295

Cc1nc(CCC(N)CCCN)c([N+](=O)[O-])[nH]1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.35
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MDM2 Q00987 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7805224 0.96 MAPT (0.39) MAPTALDH1A1GAACYP1A2POLB
SCHEMBL7801102 0.95 MAPT (0.39) MAPTALDH1A1GAACYP1A2POLB
Hydrochloric Acid SCHEMBL7803784 0.94 MAPT (0.38) MAPTALDH1A1GAACYP1A2POLB
SCHEMBL8001291 0.85 ALDH1A1 (0.44) MAPTALDH1A1GAACYP1A2POLB
SCHEMBL4269080 0.81 MAPT (0.49) MAPTALDH1A1GAACYP1A2POLB
Hydrochloric Acid SCHEMBL4618823 0.78 MAPT (0.47) MAPTALDH1A1GAACYP1A2POLB
SCHEMBL8010186 0.73 MAPT (0.38) MAPTALDH1A1GAAMDM2SMN1; SMN2
SCHEMBL8803147 0.73 MAPT (0.46) MAPTALDH1A1GAACYP1A2POLB
SCHEMBL7801150 0.72 ALDH1A1 (0.42) MAPTALDH1A1GAACYP1A2POLB
SCHEMBL3986231 0.72 MAPT (0.47) MAPTALDH1A1GAACYP1A2POLB

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