SCHEMBL1320631

SCHEMBL1320631

O=[N+]([O-])OCc1cccc(O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
ENPP2 Q13822 1/20 0.47
FBP1 P09467 1/20 0.46
TMEM97 Q5BJF2 3/20 0.44
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42

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
SCHEMBL31464225 1.00 ALOX15 (0.48) ALOX15ALDH1A1TSHRENPP2FBP1
SCHEMBL2955262 0.85 ENPP2 (0.50) ALOX15ALDH1A1TSHRENPP2DRD2
SCHEMBL3069413 0.84 TMEM97 (0.46) TSHRENPP2TMEM97MAPT
SCHEMBL17718102 0.80 IDO1 (0.55) ALDH1A1TSHRFBP1TAAR1KMT2A
SCHEMBL14394477 0.80 TMEM97 (0.43) TSHRTMEM97MAPT
SCHEMBL220610 0.80 TMEM97 (0.57) TMEM97PKMNFKB1KMT2A
SCHEMBL28040038 0.79 AGXT (0.56) TMEM97
SCHEMBL13685883 0.78 TMEM97 (0.53) ALDH1A1TSHRTMEM97NFKB1KMT2A
SCHEMBL12861015 0.78 MAOB (0.58) ALDH1A1TMEM97
SCHEMBL156310 0.78 TSHR (0.48) ALDH1A1TSHRTMEM97KMT2A

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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023208108-A1 COMPOUND FOR REDUCING URIC ACID 江苏新元素医药科技有限公司 2023-11-02 WO disclosed
WO-2023208103-A1 COMPOUND CAPABLE OF BEING USED FOR GOUT 江苏新元素医药科技有限公司 2023-11-02 WO disclosed
CN-116715633-A Compounds useful for uric acid reduction 江苏新元素医药科技有限公司 2023-09-08 CN disclosed
EP-3643702-A1 PROSTAGLANDIN DERIVATIVES Nicox S.A. (FR) 2020-04-29 EP disclosed
EP-3002277-B1 PROSTAGLANDIN DERIVATIVES NICOX SA (FR) 2019-11-06 EP disclosed
CN-104350052-B Nitric oxide donors enkephalinase inhibitor 施万生物制药研发IP有限责任公司 2017-05-31 CN disclosed
EP-2855464-B1 NITRIC OXIDE DONOR NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2016-10-26 EP disclosed
EP-3002277-A1 PROSTAGLANDIN DERIVATIVES Nicox S.A. (FR) 2016-04-06 EP disclosed
EP-1704141-B1 PROSTAGLANDIN NITROOXYDERIVATIVES NICOX SA (FR) 2016-02-24 EP disclosed
US-9045443-B2 Nitric oxide donor neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-06-02 US disclosed
EP-0871606-B1 NEW COMPOUNDS AND THEIR COMPOSITIONS HAVING ANTI-INFLAMMATORY AND ANTI-THROMBOTIC ACTIVITIES NICOX SA (FR) 2000-06-14 EP disclosed
US-6040341-A NITRATES; INHIBITORS OF CYCLO-OXYGENASE NICOX S.A. (FR) 2000-03-21 US disclosed
EP-0759899-B1 NITRO COMPOUNDS AND THEIR COMPOSITIONS HAVING ANTI-INFLAMMATORY, ANALGESIC AND ANTI-THROMBOTIC ACITIVITIES NICOX SA (FR) 1999-09-15 EP disclosed
EP-0931065-A2 NITRIC ESTER DERIVATIVES AND THEIR USE IN URINARY INCONTINENCE AND OTHER DISEASES NICOX S.A. (FR) 1999-07-28 EP disclosed
US-5861426-A NITRO ESTERS OF AROMATIC COMPOUNDS WITH AMIDE OR ESTER GROUPS NICOX S.A. (FR) 1999-01-19 US disclosed
EP-0871606-A1 NEW COMPOUNDS AND THEIR COMPOSITIONS HAVING ANTI-INFLAMMATORY AND ANTI-THROMBOTIC ACTIVITIES NICOX S.A. (FR) 1998-10-21 EP disclosed
WO-1998009948-A2 NITRIC ESTER DERIVATIVES AND THEIR USE IN URINARY INCONTINENCE AND OTHER DISEASES NICOX S.A. (FR) 1998-03-12 WO disclosed
WO-1997016405-A1 NEW COMPOUNDS AND THEIR COMPOSITIONS HAVING ANTI-INFLAMMATORY AND ANTI-THROMBOTIC ACTIVITIES NICOX S.A. (FR) 1997-05-09 WO disclosed
EP-0759899-A1 NITRO COMPOUNDS AND THEIR COMPOSITIONS HAVING ANTI-INFLAMMATORY, ANALGESIC AND ANTI-THROMBOTIC ACITIVITIES NICOX S.A. (FR) 1997-03-05 EP disclosed
WO-1995030641-A1 NITRO COMPOUNDS AND THEIR COMPOSITIONS HAVING ANTI-INFLAMMATORY, ANALGESIC AND ANTI-THROMBOTIC ACITIVITIES NICOX S.A. (FR) 1995-11-16 WO disclosed