SCHEMBL7778609

SCHEMBL7778609

CNC(=O)COc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.66
POLB P06746 3/20 0.66
MAPT P10636 2/20 0.66
KMT2A Q03164 2/20 0.63
MEN1 O00255 1/20 0.63
CYP2C9 P11712 2/20 0.62
CYP2C19 P33261 2/20 0.62
CYP1A2 P05177 2/20 0.61
CYP3A4 P08684 2/20 0.61
PTGS2 P35354 1/20 0.59
PKM P14618 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL992050 0.87 MAPT (0.59) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL10643488 0.86 ALDH1A1 (0.64) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL12526290 0.84 MAPT (0.63) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL3999404 0.84 ALDH1A1 (0.76) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL2836012 0.84 POLB (0.63) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL839776 0.82 PTGS2 (0.83) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL595168 0.82 TDP1 (0.54) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL9911322 0.82 KMT2A (0.63) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL6602827 0.81 ALDH1A1 (0.62) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL11431170 0.81 PLA2G4B (0.68) ALDH1A1POLBMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733045-B1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2001-08-16 EP disclosed
US-5880130-A TREATMENT OF CELL-PROLIFERATION DISEASES ZENECA LIMITED (GB) 1999-03-09 US disclosed
EP-0733045-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1996-09-25 EP disclosed
WO-1995015952-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1995-06-15 WO disclosed