SCHEMBL7005529

SCHEMBL7005529

O=S(=O)(Nc1cc[c]cc1O)c1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
PGAM1 P18669 2/20 0.51
ALDH1A1 P00352 2/20 0.50
GLO1 Q04760 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PLAU P00749 1/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
KAT6A Q92794 1/20 0.46
PKM P14618 1/20 0.46
PKLR P30613 1/20 0.46
PGR P06401 1/20 0.46
MCL1 Q07820 1/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
HSD11B1 P28845 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
SCHEMBL8658095 0.85 MEN1 (0.52) MEN1KMT2APGAM1ALDH1A1GLO1
SCHEMBL3260752 0.83 MEN1 (0.62) MEN1KMT2APGAM1ALDH1A1GLO1
SCHEMBL2206228 0.83 ERBB2 (0.55) MEN1KMT2APGAM1ALDH1A1SMN1; SMN2
SCHEMBL5037030 0.77 ATM (0.68) MEN1KMT2AALDH1A1PLAUATM
SCHEMBL28326534 0.77 HSD17B2 (0.61) MEN1KMT2APGAM1ALDH1A1ATM
SCHEMBL4912107 0.76 KMT2A (0.62) MEN1KMT2AALDH1A1PLAUATM
SCHEMBL3260612 0.75 HKDC1 (0.66) MEN1KMT2AALDH1A1ATML3MBTL1
SCHEMBL7008255 0.74 HSD17B2 (0.66) PGAM1ALDH1A1
SCHEMBL28878201 0.74 WDR5 (0.64) MEN1KMT2APGAM1ALDH1A1GLO1
SCHEMBL28326526 0.74 MEN1 (0.56) MEN1KMT2APGAM1ALDH1A1GLO1

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