SCHEMBL7010407

SCHEMBL7010407

O=C(O)c1cc([N+](=O)[O-])ccc1Oc1cc[c]cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.47
CTSL P07711 2/20 0.47
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
HSPB1 P04792 2/20 0.45
HPSE Q9Y251 1/20 0.44
PDE7A Q13946 1/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.44
SRD5A2 P31213 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 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
SCHEMBL5214063 0.87 MAPT (0.57) CTSVCTSLALDH1A1KMT2AMAPT
SCHEMBL4430952 0.83 HSPB1 (0.66) CTSVCTSLALDH1A1KMT2AMAPT
SCHEMBL9097065 0.83 PDE7A (0.53) CTSVCTSLALDH1A1KMT2AMAPT
SCHEMBL6590677 0.83 CTSV (0.67) CTSVCTSLALDH1A1KMT2AMAPT
SCHEMBL27723930 0.78 HSPB1 (0.64) ALDH1A1KMT2AMAPTMEN1TDP1
SCHEMBL4237810 0.78 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTMEN1TDP1
SCHEMBL7005272 0.76 MEN1 (0.57) ALDH1A1KMT2AMAPTMEN1TDP1
SCHEMBL31186306 0.76 ALDH1A1 (0.58) CTSVCTSLALDH1A1KMT2AMAPT
SCHEMBL725163 0.76 ALDH1A1 (0.54) CTSVCTSLALDH1A1KMT2AMAPT
SCHEMBL1671926 0.76 CTSV (0.60) CTSVCTSLALDH1A1KMT2AMAPT

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
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
EP-0970084-A1 PYRROLO 2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-01-12 EP claimed
US-6001839-A Substituted 4-amino-7H-pyrrolo [2,3,-d]-pyrimidines as PTK inhibitors BASF AKTIENGESELLSCHAFT (DE) 1999-12-14 US claimed
WO-1998041525-A1 PYRROLO[2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1998-09-24 WO 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
EP-0970084-B1 PYRROLO 2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AG (DE) 2003-06-04 EP disclosed
CN-1259950-A Pyrrolo [2,3D] pyrimidines and their use as tyrosine kinase inhibitors BASF AG (DE) 2000-07-12 CN disclosed
EP-0970084-A1 PYRROLO 2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-01-12 EP disclosed
US-6001839-A Substituted 4-amino-7H-pyrrolo [2,3,-d]-pyrimidines as PTK inhibitors BASF AKTIENGESELLSCHAFT (DE) 1999-12-14 US disclosed
WO-1998041525-A1 PYRROLO[2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1998-09-24 WO disclosed