SCHEMBL6436979

SCHEMBL6436979

Cc1ccc2c(c1)C(=O)N(CCO[N+](=O)[O-])CO2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.36
LMNA P02545 4/20 0.36
AGTR1 P30556 1/20 0.36
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
CYP19A1 P11511 1/20 0.33
POLB P06746 3/20 0.32
MAPT P10636 5/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
RCE1 Q9Y256 2/20 0.32
ACHE P22303 2/20 0.32
MAOB P27338 1/20 0.31
KDM4E B2RXH2 3/20 0.31

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
SCHEMBL9167754 0.91 ALDH1A1 (0.36) ALDH1A1LMNAAGTR1CYP19A1SMN1; SMN2
SCHEMBL31562951 0.88 KMT2A (0.38) ALDH1A1LMNAAGTR1KMT2AMEN1
SCHEMBL9173014 0.86 MAOB (0.35) KMT2AMEN1CYP19A1MAPTMAOB
SCHEMBL8635639 0.86 CASP1 (0.39) ALDH1A1KMT2AMEN1TDP1ACHE
SCHEMBL8637170 0.86 MAPT (0.35) ALDH1A1KMT2AMAPTRAB9A
SCHEMBL8639858 0.85 ALDH1A1 (0.37) ALDH1A1POLBMAPTACHE
SCHEMBL8653036 0.83 CASP3 (0.34) MAPT
SCHEMBL8635721 0.83 HPGD (0.39) ALDH1A1KMT2APOLBSMN1; SMN2TDP1
Sinitrodil SCHEMBL31066546 0.83 TSHR (0.34) ALDH1A1LMNAAGTR1MAPTSMN1; SMN2
Sinitrodil SCHEMBL503115 0.83 TSHR (0.34) ALDH1A1LMNAAGTR1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025079090-A1 SUBSTITUTED 4-HETEROATOM-ISOQUINOLONE COMPOUNDS, PROCESS OF PREPARATION AND APPLICATIONS THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2025-04-17 WO claimed
US-20050181066-A1 Novel use of guanylate cyclase activators for the treatment of respiratory insufficiency ALTANA PHARMA AG (DE) 2005-08-18 US claimed
EP-1501605-A1 NOVEL USE OF GUANYLATE CYCLASE ACTIVATORS FOR THE TREATMENT OF RESPIRATORY INSUFFICIENCY ALTANA Pharma AG (DE) 2005-02-02 EP claimed
WO-2003090870-A1 NOVEL USE OF GUANYLATE CYCLASE ACTIVATORS FOR THE TREATMENT OF RESPIRATORY INSUFFICIENCY ALTANA PHARMA AG (DE) 2003-11-06 WO claimed
EP-0490183-B1 Benzoxazinone and benzothiazinone derivatives endowed with cardiovascular activity ITALFARMACO SPA (IT) 1995-04-19 EP claimed
US-5189034-A Vasodilating, antianginal agents ITALFARMACO S.P.A. (IT) 1993-02-23 US claimed
US-20050181066-A1 Novel use of guanylate cyclase activators for the treatment of respiratory insufficiency ALTANA PHARMA AG (DE) 2005-08-18 US disclosed
EP-1501605-A1 NOVEL USE OF GUANYLATE CYCLASE ACTIVATORS FOR THE TREATMENT OF RESPIRATORY INSUFFICIENCY ALTANA Pharma AG (DE) 2005-02-02 EP disclosed
WO-2003090870-A1 NOVEL USE OF GUANYLATE CYCLASE ACTIVATORS FOR THE TREATMENT OF RESPIRATORY INSUFFICIENCY ALTANA PHARMA AG (DE) 2003-11-06 WO disclosed
EP-0490183-B1 Benzoxazinone and benzothiazinone derivatives endowed with cardiovascular activity ITALFARMACO SPA (IT) 1995-04-19 EP disclosed
US-5189034-A Vasodilating, antianginal agents ITALFARMACO S.P.A. (IT) 1993-02-23 US disclosed
EP-0490183-A1 Benzoxazinone and benzothiazinone derivatives endowed with cardiovascular activity ITALFARMACO S.p.A. (IT) 1992-06-17 EP disclosed