SCHEMBL7005240

SCHEMBL7005240

COc1cc(Oc2cc[c]cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 3/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
SIRT6 Q8N6T7 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MERTK Q12866 1/20 0.42
MAPT P10636 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
AR P10275 1/20 0.39
CHEK1 O14757 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
PRKDC P78527 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL10817393 0.89 ALDH1A1 (0.56) ALDH1A1HTTTDP1LMNAL3MBTL1
SCHEMBL16792372 0.85 ALDH1A1 (0.57) ALDH1A1HTTTDP1LMNAL3MBTL1
SCHEMBL7937740 0.84 TDP1 (0.50) ALDH1A1HTTTDP1LMNAL3MBTL1
SCHEMBL4229158 0.84 ALDH1A1 (0.55) ALDH1A1HTTTDP1LMNAL3MBTL1
SCHEMBL1298266 0.81 MERTK (0.52) ALDH1A1HTTTDP1LMNAL3MBTL1
SCHEMBL30686627 0.81 ALDH1A1 (0.58) ALDH1A1HTTTDP1LMNAL3MBTL1
SCHEMBL4142866 0.81 ALDH1A1 (0.58) ALDH1A1HTTTDP1LMNAL3MBTL1
SCHEMBL13580990 0.80 TXNRD1 (0.46) ALDH1A1HTTTDP1LMNAL3MBTL1
SCHEMBL8728027 0.80 SRD5A2 (0.54) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL311726 0.79 MEN1 (0.48) ALDH1A1HTTTDP1LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0970084-B1 PYRROLO 2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AG (DE) 2003-06-04 EP 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
EP-0970084-B1 PYRROLO 2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AG (DE) 2003-06-04 EP 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