SCHEMBL8547422

SCHEMBL8547422

O=[N+]([O-])c1ccc(Oc2ccc(CNO)cc2)cc1Oc1ccc(CNO)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.44
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 7/20 0.39
MEN1 O00255 6/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
HSPB1 P04792 1/20 0.39
MERTK Q12866 1/20 0.39
HTR6 P50406 1/20 0.38
MMP13 P45452 1/20 0.38
PDE7A Q13946 1/20 0.38
POLB P06746 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
MAPK1 P28482 1/20 0.37
FFAR1 O14842 1/20 0.37

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
SCHEMBL11067702 0.77 HTR6 (0.57) F10TDP1HPGDKMT2AMEN1
SCHEMBL1298266 0.76 MERTK (0.52) F10TDP1HPGDKMT2AMEN1
SCHEMBL8546575 0.76 F10 (0.45) F10TDP1KMT2AMEN1ALDH1A1
SCHEMBL8544536 0.75 HTR2A (0.44) KMT2AMEN1ALDH1A1MAPT
SCHEMBL8550863 0.75 THRB (0.37) HPGDKMT2AMEN1ALDH1A1MAPT
SCHEMBL8546076 0.75 HTR2A (0.43) F10FFAR1
SCHEMBL18988345 0.74 MERTK (0.54) TDP1HPGDKMT2AMEN1ALDH1A1
SCHEMBL8543520 0.74 MAPT (0.50) F10HPGDKMT2AMEN1ALDH1A1
SCHEMBL8547421 0.73 F10 (0.47) F10TDP1HPGDKMT2AMEN1
SCHEMBL860782 0.72 MERTK (0.68) F10KMT2AMEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0696585-B1 NOVEL BISOXADIAZOLIDINE DERIVATIVE YAMANOUCHI PHARMA CO LTD (JP) 1998-12-16 EP disclosed
US-5643931-A ANTIDIABETIC AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0696585-A1 NOVEL BISOXADIAZOLIDINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-02-14 EP disclosed