SCHEMBL6974296

SCHEMBL6974296

N=C1CCCCC(c2ccccc2[N+](=O)[O-])N1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
FGB P02675 1/20 0.42
S100A4 P26447 1/20 0.42
KEAP1 Q14145 1/20 0.42
PLEC Q15149 1/20 0.42
NFE2L2 Q16236 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA1 P00915 2/20 0.37
GPR68 Q15743 1/20 0.37
ACHE P22303 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL5202115 0.77 KMT2A (0.44) TDP1MEN1KMT2AFGBS100A4
SCHEMBL6965178 0.75 ALDH1A1 (0.43) MEN1KMT2AALDH1A1MAPTKDM4E
Hydrochloric Acid SCHEMBL6969794 0.74 ALDH1A1 (0.42) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL8546560 0.74 ALDH1A1 (0.42) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL6969488 0.73 ALDH1A1 (0.47) TDP1MEN1KMT2AALDH1A1MAPT
SCHEMBL6969479 0.73 ALDH1A1 (0.47) TDP1MEN1KMT2AALDH1A1MAPT
SCHEMBL8552649 0.72 ALDH1A1 (0.40) MEN1KMT2AALDH1A1MAPTKDM4E
Hydrochloric Acid SCHEMBL6965397 0.72 ALDH1A1 (0.46) TDP1MEN1KMT2AALDH1A1MAPT
SCHEMBL1065970 0.72 MEN1 (0.47) TDP1MEN1KMT2AALDH1A1MAPT
SCHEMBL4544209 0.71 TDP1 (0.45) TDP1MEN1KMT2AFGBS100A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP claimed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 US claimed
EP-0821674-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-02-04 EP claimed
WO-1996033175-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-10-24 WO claimed
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP disclosed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 US disclosed
EP-0821674-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-02-04 EP disclosed
WO-1996033175-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-10-24 WO disclosed