SCHEMBL6972927

SCHEMBL6972927

N=C1CCCCC(Cc2ccc([N+](=O)[O-])cc2)N1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
EPHX1 P07099 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.40
POLB P06746 3/20 0.40
TBXA2R P21731 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
HRH3 Q9Y5N1 3/20 0.39
MEN1 O00255 1/20 0.38
ATM Q13315 1/20 0.38
TRPA1 O75762 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.37
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
AR P10275 1/20 0.37

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
SCHEMBL6968410 0.86 HRH3 (0.43) SMN1; SMN2EPHX1ALDH1A1POLBLMNA
SCHEMBL8139586 0.84 KMT2A (0.44) EPHX1ALDH1A1KMT2APOLBTBXA2R
SCHEMBL6971463 0.79 POLB (0.56) POLB
SCHEMBL6968367 0.78 POLB (0.39) SMN1; SMN2ALDH1A1POLBLMNAGAA
SCHEMBL6967974 0.78 POLB (0.39) EPHX1ALDH1A1POLBTBXA2RMAPT
Hydrochloric Acid SCHEMBL6968507 0.78 POLB (0.54) KMT2APOLBMEN1
SCHEMBL6965178 0.77 ALDH1A1 (0.43) ALDH1A1KMT2APOLBMAPTMEN1
SCHEMBL11469205 0.77 POLB (0.58) SMN1; SMN2EPHX1ALDH1A1POLBTBXA2R
SCHEMBL10376287 0.77 POLB (0.53) EPHX1KMT2APOLBTBXA2RLMNA
Hydrochloric Acid SCHEMBL6969794 0.76 ALDH1A1 (0.42) ALDH1A1KMT2APOLBMAPTMEN1

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