SCHEMBL6608045

SCHEMBL6608045

COC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
HTT P42858 2/20 0.61
NR1I2 O75469 1/20 0.60
ALDH1A1 P00352 5/20 0.59
GLA P06280 1/20 0.58
LMNA P02545 3/20 0.55
NR3C1 P04150 1/20 0.53
TSHR P16473 1/20 0.53
PTPN1 P18031 2/20 0.51
PKM P14618 2/20 0.51
MAPK1 P28482 1/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 1/20 0.49
THRB P10828 1/20 0.49
MPI P34949 1/20 0.49
PTK2B Q14289 1/20 0.49

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
SCHEMBL5286157 0.87 NR1I2 (0.76) MAPTMEN1KMT2ANR1I2ALDH1A1
SCHEMBL6611414 0.85 MAPT (0.61) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL7422328 0.84 KMT2A (0.64) MAPTMEN1KMT2AHTTNR1I2
SCHEMBL5568657 0.84 NR1I2 (0.65) MEN1KMT2ANR1I2ALDH1A1GLA
SCHEMBL6610295 0.84 ALDH1A1 (0.53) MAPTMEN1KMT2ANR1I2ALDH1A1
SCHEMBL10956866 0.83 NR1I2 (0.64) MAPTHTTNR1I2ALDH1A1TSHR
SCHEMBL26247380 0.80 MAPT (0.61) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL22492626 0.77 MAPT (0.52) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL20969335 0.77 KMT2A (0.66) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL5461521 0.77 PKM (0.61) MAPTMEN1KMT2AHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1114815-B1 Process to prepare taxol UPJOHN CO (US) 2004-09-29 EP claimed
EP-1114815-A2 Process to prepare taxol PHARMACIA & UPJOHN COMPANY (US) 2001-07-11 EP claimed
EP-0912504-A1 PROCESS TO PREPARE TAXOL PHARMACIA & UPJOHN COMPANY (US) 1999-05-06 EP claimed
WO-1997042167-A1 PROCESS TO PREPARE TAXOL PHARMACIA & UPJOHN COMPANY (US) 1997-11-13 WO claimed
EP-1114815-B1 Process to prepare taxol UPJOHN CO (US) 2004-09-29 EP disclosed
EP-1352899-A1 Process to prepare taxol PHARMACIA & UPJOHN COMPANY (US) 2003-10-15 EP disclosed
EP-1352900-A1 Process to prepare taxol PHARMACIA & UPJOHN COMPANY (US) 2003-10-15 EP disclosed
EP-0912504-B1 Oxazolidine ester UPJOHN CO (US) 2002-09-11 EP disclosed
US-6307064-B1 PHENYLISOSERINE ESTER OF SILYLATED BACCATIN III PHARMACIA & UPJOHN COMPANY 2001-10-23 US disclosed
EP-1114815-A2 Process to prepare taxol PHARMACIA & UPJOHN COMPANY (US) 2001-07-11 EP disclosed
US-6177573-B1 Process to prepare taxol PHARMACIA & UPJOHN COMPANY 2001-01-23 US disclosed
US-6057452-A Process to prepare taxol PHARMACIA & UPJOHN COMPANY 2000-05-02 US disclosed
EP-0912504-A1 PROCESS TO PREPARE TAXOL PHARMACIA & UPJOHN COMPANY (US) 1999-05-06 EP disclosed
WO-1997042167-A1 PROCESS TO PREPARE TAXOL PHARMACIA & UPJOHN COMPANY (US) 1997-11-13 WO disclosed