SCHEMBL131912

SCHEMBL131912

O=[N+]([O-])c1ccc(O)c(CBr)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.56
ALDH1A1 P00352 2/20 0.56
TSHR P16473 2/20 0.56
TP53 P04637 1/20 0.56
HPGD P15428 1/20 0.56
MAPK1 P28482 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
GAA P10253 1/20 0.55
THRB P10828 1/20 0.55
CTSB P07858 1/20 0.54
ERN1 O75460 1/20 0.51
NOX4 Q9NPH5 1/20 0.49
APP P05067 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HSP90AA1 P07900 1/20 0.45
MEN1 O00255 1/20 0.45
CRHBP P24387 1/20 0.45
KMT2A Q03164 1/20 0.45
CRHR2 Q13324 1/20 0.45
GSK3B P49841 1/20 0.44

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
SCHEMBL2328652 0.88 MEN1 (0.46) GPR35ALDH1A1TSHRTP53HPGD
SCHEMBL28013151 0.86 GPR35 (0.53) GPR35ALDH1A1TSHRTP53HPGD
SCHEMBL15283303 0.85 ALDH1A1 (0.56) GPR35ALDH1A1TSHRTP53HPGD
SCHEMBL7876386 0.85 GPR35 (0.56) GPR35ALDH1A1TSHRTP53HPGD
SCHEMBL51277 0.85 GPR35 (0.60) GPR35ALDH1A1TSHRTP53HPGD
SCHEMBL216753 0.83 GPR35 (0.58) GPR35ALDH1A1TSHRTP53HPGD
SCHEMBL4231830 0.83 ALDH1A1 (0.58) GPR35ALDH1A1TSHRTP53HPGD
SCHEMBL260864 0.82 CYP1A2 (0.47) GPR35ALDH1A1TSHRTP53HPGD
SCHEMBL29368452 0.82 CYP1A2 (0.47) GPR35ALDH1A1TSHRTP53HPGD
SCHEMBL786832 0.81 GAA (0.59) GPR35ALDH1A1TSHRTP53HPGD

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

Appears in 3933 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4400166-A2 METHODS FOR IMPLANTING AND REVERSING STIMULI-RESPONSIVE IMPLANTS Contraline, Inc. (US) 2024-07-17 EP claimed
EP-3565484-B1 COMPOSITIONS FOR IMPLANTING AND REVERSING STIMULI-RESPONSIVE IMPLANTS CONTRALINE INC (US) 2024-04-03 EP claimed
CN-112940006-B Tetraphenyl ethylene-oxazine material and synthetic method and application thereof 中国科学院大连化学物理研究所 2023-03-28 CN claimed
CN-113493465-B Benzoxazine-based visible organic molecule ratio type fluorescent probe, preparation method thereof and cell imaging application 广东石油化工学院 2022-09-02 CN claimed
CN-112831659-B Synthesis method and application of pH response type lithium extraction molecule 山西大学 2022-03-18 CN claimed
CN-113493465-A Benzoxazine-based visible organic molecule ratio type fluorescent probe, preparation method thereof and cell imaging application 广东石油化工学院 2021-10-12 CN claimed
CN-112940006-A Tetraphenyl ethylene-oxazine material and synthetic method and application thereof 中国科学院大连化学物理研究所 2021-06-11 CN claimed
CN-112831659-A Synthesis method and application of pH response type lithium extraction molecule 山西大学 2021-05-25 CN claimed
CN-112582021-A Screening method of chitosan hydrolase reversible inhibition protective agent 枣庄市杰诺生物酶有限公司 2021-03-30 CN claimed
EP-3725327-A2 PEPTIDES AND COMBINATION THEREOF FOR USE IN THE IMMUNOTHERAPY AGAINST CANCERS Immatics Biotechnologies GmbH (DE) 2020-10-21 EP claimed
EP-1914320-A2 A method for detection of one or more CpG positions Epigenomics AG (DE) 2008-04-23 EP claimed
CN-1418111-A Novel Ligands and method for preparing same NAT UNIV SINGAPORE (SG) 2003-05-14 CN claimed
EP-1289561-A2 LIGAND CONJUGATES AND METHODS FOR PREPARING SAME NATIONAL UNIVERSITY OF SINGAPORE (SG) 2003-03-12 EP claimed
EP-1238099-A2 AUTOMATED LYSOPHOSPHOLIPID ASSAY AND METHODS OF DETECTING CANCER ABBOTT LABORATORIES (US) 2002-09-11 EP claimed
WO-2001054731-A2 LIGAND CONJUGATES AND METHODS FOR PREPARING SAME NATIONAL UNIVERSITY OF SINGAPORE (SG) 2001-08-02 WO claimed
WO-2001032916-A2 AUTOMATED LYSOPHOSPHOLIPID ASSAY AND METHODS OF DETECTING CANCER ABBOTT LABORATORIES (US) 2001-05-10 WO claimed
EP-0914342-A2 DERIVATIVES OF SOMATOSTATIN, AMINO ACIDS OR OLIGOPEPTIDES AND THEIR COMBINATION USEFUL FOR PROMOTING BODY GROWTH DOX-AL ITALIA S.p.A. (IT) 1999-05-12 EP claimed
WO-1998001474-A2 DERIVATIVES OF SOMATOSTATIN, AMINO ACIDS OR OLIGOPEPTIDES AND THEIR COMBINATION USEFUL FOR PROMOTING BODY GROWTH DOX-AL ITALIA S.P.A. (IT) 1998-01-15 WO claimed
EP-0734452-A1 IMPROVED ACYLATION METHOD FOR PENICILLINS AND CEPHALOSPORINS GIST-BROCADES B.V. (NL) 1996-10-02 EP claimed
WO-1995034675-A1 IMPROVED ACYLATION METHOD FOR PENICILLINS AND CEPHALOSPORINS GIST-BROCADES B.V. (NL) 1995-12-21 WO claimed