SCHEMBL9867327

SCHEMBL9867327

Cc1cc(Br)c(O)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
GPR35 Q9HC97 2/20 0.47
ALDH1A1 P00352 4/20 0.46
SNCA P37840 1/20 0.44
TSHR P16473 3/20 0.43
CYP3A4 P08684 2/20 0.43
RECQL P46063 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL1412364 0.92 CYP1A2 (0.47) CYP1A2GPR35ALDH1A1SNCATSHR
SCHEMBL28777452 0.92 CYP1A2 (0.47) CYP1A2GPR35ALDH1A1SNCATSHR
SCHEMBL10549400 0.85 CYP1A2 (0.47) CYP1A2GPR35ALDH1A1SNCATSHR
SCHEMBL29510944 0.84 SNCA (0.55) CYP1A2GPR35ALDH1A1SNCATSHR
SCHEMBL7937707 0.84 SNCA (0.55) CYP1A2GPR35ALDH1A1SNCATSHR
SCHEMBL2442735 0.84 CYP1A2 (0.53) CYP1A2GPR35ALDH1A1TSHRCYP3A4
SCHEMBL29727863 0.82 CYP1A2 (0.57) CYP1A2GPR35ALDH1A1TSHRCYP3A4
SCHEMBL8793429 0.82 CYP1A2 (0.52) CYP1A2GPR35ALDH1A1TSHRCYP3A4
SCHEMBL14691657 0.82 CA12 (0.48) CYP1A2GPR35ALDH1A1SNCATSHR
SCHEMBL21566 0.82 CYP1A2 (0.57) CYP1A2GPR35ALDH1A1TSHRCYP3A4

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-2023108174-A1 ANALOGS OF 6-METHOXY- N, N-DIMETHYLTRYPTAMINE TERRAN BIOSCIENCES, INC. (US) 2023-06-15 WO disclosed
US-5032606-A Novel fluorinated resorcinol ethers and their use as anti-allergics and anti-inflammatories CIBA-GEIGY CORPORATION (US) 1991-07-16 US disclosed
EP-0222962-B1 RESORCINOL ETHERS CIBA-GEIGY AG (CH) 1990-01-24 EP disclosed
EP-0222961-B1 RESORCINOL ETHERS CIBA-GEIGY AG (CH) 1989-09-20 EP disclosed
US-4863942-A Novel resorcinol ethers and anti-inflammatory and anti-allergic use thereof CIBA-GEIGY CORPORATION (US) 1989-09-05 US disclosed
US-4820726-A Oxaloamino substituted fluorinated resorcinol ethers and anti-allergic and anti-inflammatory use thereof CIBA-GEIGY CORPORATION (US) 1989-04-11 US disclosed
EP-0165897-B1 RESORCIN ETHERS CIBA-GEIGY AG (CH) 1989-03-15 EP disclosed
US-4808604-A LEUKOTRIENE ANTAGONISTS; BRONCHODILATORS; ANTICOAGULANTS; ANTIINFLAMINETORY AGENTS CIBA-GEIGY CORPORATION (US) 1989-02-28 US disclosed
US-4670604-A Novel fluorinated resorcinol ethers CIBA-GEIGY CORPORATION (US) 1987-06-02 US disclosed
EP-0222961-A1 Resorcinol ethers CIBA-GEIGY AG (CH) 1987-05-27 EP disclosed
EP-0222962-A1 Resorcinol ethers CIBA-GEIGY AG (CH) 1987-05-27 EP disclosed
EP-0165897-A2 Resorcin ethers CIBA-GEIGY AG (CH) 1985-12-27 EP disclosed