SCHEMBL6965178

SCHEMBL6965178

N=C1CCCCC(Cc2ccccc2[N+](=O)[O-])N1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.41
ACHE P22303 1/20 0.40
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.38
CES2 O00748 1/20 0.37
KDM1A O60341 1/20 0.36
POLB P06746 1/20 0.36
SIGMAR1 Q99720 1/20 0.35

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
Hydrochloric Acid SCHEMBL6969794 0.99 ALDH1A1 (0.42) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL8593312 0.94 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL8546560 0.89 ALDH1A1 (0.42) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL8552649 0.86 ALDH1A1 (0.40) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL6980172 0.86 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL8552776 0.80 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL6972927 0.77 SMN1; SMN2 (0.43) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL8552646 0.77 CA1 (0.41) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL27677704 0.77 HTR6 (0.49) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL6976369 0.77 POLB (0.33) KDM4EMAPTPOLB

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