SCHEMBL3953258

SCHEMBL3953258

O=C(O)Cc1cccc([N+](=O)[O-])c1O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.60
CYP1A2 P05177 2/20 0.53
DUSP3 P51452 1/20 0.50
PTPN5 P54829 1/20 0.50
PTPN11 Q06124 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
ERN1 O75460 1/20 0.49
AKR1B1 P15121 1/20 0.48
CXCR1 P25024 1/20 0.47
CXCR2 P25025 1/20 0.47
TSHR P16473 3/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43

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
SCHEMBL27573469 0.86 GPR35 (0.47) GPR35CYP1A2DUSP3PTPN5PTPN11
SCHEMBL15887327 0.85 GPR35 (0.58) GPR35ERN1CXCR1CXCR2TSHR
SCHEMBL74692 0.84 CYP1A2 (0.62) CYP1A2AKR1B1TSHRALDH1A1L3MBTL1
SCHEMBL4388496 0.83 GPR35 (0.53) GPR35CYP1A2DUSP3PTPN5PTPN11
SCHEMBL28157714 0.82 CYP1A2 (0.60) CYP1A2AKR1B1TSHRALDH1A1L3MBTL1
SCHEMBL28223983 0.82 CYP1A2 (0.60) CYP1A2AKR1B1TSHRALDH1A1L3MBTL1
SCHEMBL27861233 0.82 CYP1A2 (0.60) CYP1A2AKR1B1TSHRALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL2530464 0.82 CYP1A2 (0.60) CYP1A2AKR1B1TSHRALDH1A1L3MBTL1
SCHEMBL11306648 0.82 GPR35 (0.69) GPR35CYP1A2ERN1CXCR1CXCR2
SCHEMBL1294540 0.81 TSHR (0.58) CYP1A2TSHRALDH1A1L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078200-A1 TEST FOR H. PYLORI INFECTION UCL Business PLC (GB) 2009-07-15 EP claimed
WO-2008038022-A1 TEST FOR H. PYLORI INFECTION UCL BUSINESS PLC (GB) 2008-04-03 WO claimed
EP-4455667-B1 DEVICE FOR DETECTING MOLECULES VISCERA TECH LTD (GB) 2025-08-13 EP disclosed
WO-2024223672-A1 DEVICE FOR DETECTING MOLECULES VISCERA TECHNOLOGIES LTD (GB) 2024-10-31 WO disclosed
EP-4455667-A1 DEVICE FOR DETECTING MOLECULES Viscera Technologies Ltd (GB) 2024-10-30 EP disclosed
CN-107892656-A A kind of preparation method of 2,5 diamino benzene ethanol 苏州盖德精细材料有限公司 2018-04-10 CN disclosed
EP-2078200-A1 TEST FOR H. PYLORI INFECTION UCL Business PLC (GB) 2009-07-15 EP disclosed
EP-2078200-A1 TEST FOR H. PYLORI INFECTION UCL Business PLC (GB) 2009-07-15 EP disclosed
WO-2008038022-A1 TEST FOR H. PYLORI INFECTION UCL BUSINESS PLC (GB) 2008-04-03 WO disclosed
WO-2008038022-A1 TEST FOR H. PYLORI INFECTION UCL BUSINESS PLC (GB) 2008-04-03 WO disclosed
US-5229510-A β-lactams useful in determining the amount of elastase in a clinical sample MERCK & CO., INC. (US) 1993-07-20 US disclosed