SCHEMBL10416626

SCHEMBL10416626

O=[N+]([O-])c1cc(O)ccc1Oc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 1/20 0.59
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
TTR P02766 1/20 0.52
ALB P02768 1/20 0.52
THRB P10828 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAPT P10636 5/20 0.50
ALDH1A1 P00352 5/20 0.50
HSPB1 P04792 2/20 0.50
PDE7A Q13946 1/20 0.49
LMNA P02545 1/20 0.48
CAMK2A Q9UQM7 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
HTT P42858 2/20 0.47
MAPK1 P28482 1/20 0.47
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
HTR6 P50406 1/20 0.45

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
SCHEMBL7813399 0.82 MEN1 (0.72) HPSEMEN1KMT2ATTRALB
SCHEMBL5700752 0.81 ALDH1A1 (0.48) MEN1KMT2ATTRMAPTALDH1A1
SCHEMBL11849968 0.81 HPSE (0.76) HPSEMEN1KMT2ATTRTDP1
SCHEMBL8622495 0.81 HPSE (0.80) HPSEMEN1KMT2ATTRALB
SCHEMBL10424095 0.81 MEN1 (0.55) HPSEMEN1KMT2ATTRALB
SCHEMBL2020498 0.81 PDE7A (0.73) HPSEMEN1KMT2ATTRALB
SCHEMBL10357075 0.81 HPSE (0.56) HPSEMEN1KMT2ATTRALB
SCHEMBL31090813 0.81 HPSE (0.56) HPSEMEN1KMT2ATTRALB
SCHEMBL1638040 0.81 HSPB1 (0.66) HPSEMEN1KMT2ATTRALB
SCHEMBL1128860 0.81 HPSE (0.56) HPSEMEN1KMT2ATTRALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4221715-A Substituted dibenz[b,f][1,4]oxazepin-11-yl pyridinium salts and derivatives thereof AMERICAN CYANAMID COMPANY (US) 1980-09-09 US claimed
WO-2021020481-A1 METHOD FOR PRODUCING INTERMEDIATE OF IGURATIMOD DERIVATIVES, METHOD FOR PRODUCING IGURATIMOD, IGURATIMOD HAVING NOVEL CRYSTAL STRUCTURE, AND METHOD FOR PRODUCING SAME 株式会社トクヤマ 2021-02-04 WO disclosed
US-4954518-A Antiinflammatory agents TOYAMA CHEMICAL COMPANY, LTD. (JP) 1990-09-04 US disclosed
EP-0059884-B1 BENZOFURANE DERIVATIVES, THEIR PREPARATION AND USE SCHERING AKTIENGESELLSCHAFT (DE) 1985-05-22 EP disclosed
US-4411910-A Benzofuran derivatives and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 1983-10-25 US disclosed
EP-0059884-A1 Benzofurane derivatives, their preparation and use SCHERING AKTIENGESELLSCHAFT (DE) 1982-09-15 EP disclosed