SCHEMBL8745501

SCHEMBL8745501

CCN(CC)c1ccc([N+](=O)[O-])c(N2CCN(C(C)=O)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPK1 P28482 2/20 0.43
GPR174 Q9BXC1 2/20 0.43
POLB P06746 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
RAB9A P51151 1/20 0.41
GRM5 P41594 2/20 0.41
GAA P10253 1/20 0.39
TXNRD1 Q16881 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ITGB2 P05107 1/20 0.38
ITGAL P20701 1/20 0.38

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
SCHEMBL9689496 0.82 MAPT (0.46) MAPTALDH1A1MAPK1POLBTDP1
SCHEMBL11010761 0.79 ALDH1A1 (0.48) MAPTALDH1A1MAPK1GPR174POLB
SCHEMBL11011738 0.79 POLB (0.60) MAPTALDH1A1MAPK1GPR174POLB
SCHEMBL11008789 0.76 MAPT (0.45) MAPTALDH1A1MAPK1GPR174POLB
SCHEMBL9437320 0.73 GRM5 (0.41) MAPTALDH1A1MAPK1GPR174POLB
SCHEMBL10969474 0.70 KMT2A (0.55) MAPTALDH1A1GPR174RAB9AGAA
SCHEMBL10964799 0.70 MAPT (0.55) MAPTALDH1A1MAPK1GPR174POLB
SCHEMBL2982554 0.70 MAPT (0.43) MAPTALDH1A1MAPK1POLBTDP1
SCHEMBL16284339 0.69 MAPT (0.54) MAPTALDH1A1MAPK1GAALMNA
SCHEMBL9437322 0.69 GRM5 (0.41) MAPTALDH1A1MAPK1GPR174POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0389368-B1 New derivatives of 6-(1-piperazinyl) 2,5-pyridine diamine N,N,N',N'-substituted, procedure for their production and intermediates, their use as medicines and pharmaceutical preparations containing them ROUSSEL UCLAF (FR) 1997-01-29 EP disclosed
EP-0389369-B1 New 3-oxo-steroids with an amino substituted chain in position 17 a procedure for their production and intermediates of this procedure, their use as medicines and pharmaceutical preparations containing them ROUSSEL UCLAF (FR) 1994-11-09 EP disclosed
EP-0389370-B1 19-Nor 3-keto steroids with an amine substituted 17-chain, method for their production and intermediates thereof. Their use as medicines and pharmaceutical composition containing them ROUSSEL UCLAF (FR) 1994-04-27 EP disclosed
US-5302719-A Antiinflammatory and antioxidant ROUSSEL UCLAF (FR) 1994-04-12 US disclosed
US-5202316-A Antiinflammatory agent ROUSSEL UCLAF (FR) 1993-04-13 US disclosed
US-5081113-A Antioxidants, Antiinflammatory Agents ROUSSEL UCLAF (FR) 1992-01-14 US disclosed
EP-0389369-A1 New 3-oxo-steroids with an amino substituted chain in position 17 a procedure for their production and intermediates of this procedure, their use as medicines and pharmaceutical preparations containing them ROUSSEL-UCLAF (FR) 1990-09-26 EP disclosed
EP-0389370-A1 19-Nor 3-keto steroids with an amine substituted 17-chain, method for their production and intermediates thereof. Their use as medicines and pharmaceutical composition containing them ROUSSEL-UCLAF (FR) 1990-09-26 EP disclosed
EP-0389368-A1 New derivatives of 6-(1-piperazinyl) 2,5-pyridine diamine N,N,N',N'-substituted, procedure for their production and intermediates, their use as medicines and pharmaceutical preparations containing them ROUSSEL UCLAF (FR) 1990-09-26 EP disclosed