SCHEMBL7010633

SCHEMBL7010633

O=[N+]([O-])c1ccccc1Oc1cc[c]cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
HPGD P15428 1/20 0.56
ALDH1A1 P00352 5/20 0.53
TDP1 Q9NUW8 2/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
RECQL P46063 2/20 0.51
LTA4H P09960 1/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
HTT P42858 2/20 0.47
ESR2 Q92731 1/20 0.46
HSPB1 P04792 1/20 0.45
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TTR P02766 1/20 0.44
ALB P02768 1/20 0.44
THRB P10828 1/20 0.44
POLB P06746 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
SCHEMBL238962 0.85 L3MBTL1 (0.62) L3MBTL1HPGDALDH1A1TDP1NPC1
SCHEMBL27439479 0.82 L3MBTL1 (0.51) L3MBTL1HPGDALDH1A1TDP1NPC1
SCHEMBL28219324 0.82 L3MBTL1 (0.62) L3MBTL1HPGDALDH1A1TDP1NPC1
SCHEMBL39472 0.81 HPGD (0.78) L3MBTL1HPGDALDH1A1TDP1NPC1
SCHEMBL6750951 0.81 L3MBTL1 (0.57) L3MBTL1HPGDALDH1A1TDP1NPC1
2,4'-Oxybis(Nitrobenzene) SCHEMBL9474586 0.81 HSPB1 (0.62) L3MBTL1HPGDALDH1A1TDP1NPC1
SCHEMBL1283885 0.81 HSPB1 (0.67) L3MBTL1HPGDALDH1A1TDP1NPC1
SCHEMBL7021137 0.79 L3MBTL1 (0.56) L3MBTL1HPGDALDH1A1TDP1NPC1
SCHEMBL641831 0.79 HPGD (0.65) L3MBTL1HPGDALDH1A1TDP1NPC1
SCHEMBL7123876 0.79 L3MBTL1 (0.56) L3MBTL1HPGDALDH1A1TDP1NPC1

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
CN-1134439-C Pyrrolo [2,3D ] pyrimidines and their use as tyrosine kinase inhibitors 艾博特股份有限两合公司 2004-01-14 CN claimed
EP-0970084-B1 PYRROLO 2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AG (DE) 2003-06-04 EP claimed
CN-1259950-A Pyrrolo [2,3D] pyrimidines and their use as tyrosine kinase inhibitors BASF AG (DE) 2000-07-12 CN claimed
CN-1134439-C Pyrrolo [2,3D ] pyrimidines and their use as tyrosine kinase inhibitors 艾博特股份有限两合公司 2004-01-14 CN disclosed
CN-1259950-A Pyrrolo [2,3D] pyrimidines and their use as tyrosine kinase inhibitors BASF AG (DE) 2000-07-12 CN disclosed
US-4578107-A Herbicidal imidazolidine-2-one derivatives OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1986-03-25 US disclosed