SCHEMBL8099862

SCHEMBL8099862

COc1ccc(Oc2c([N+](=O)[O-])cc(C(=O)O)cc2[N+](=O)[O-])c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
HPGD P15428 4/20 0.54
TPMT P51580 1/20 0.53
LMNA P02545 3/20 0.52
GFER P55789 2/20 0.52
ALDH1A1 P00352 2/20 0.52
RAF1 P04049 1/20 0.52
MAPK1 P28482 1/20 0.52
PAX8 Q06710 1/20 0.52
TDP1 Q9NUW8 2/20 0.48
AKR1C3 P42330 5/20 0.48
AKR1C2 P52895 5/20 0.48
MRGPRX4 Q96LA9 1/20 0.47
TTR P02766 2/20 0.47
PPOX P50336 1/20 0.47
AKR1B10 O60218 2/20 0.46
AKR1B1 P15121 2/20 0.46
AKR1C4 P17516 2/20 0.46

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
SCHEMBL6135845 0.89 MAPT (0.56) MAPTMEN1KMT2AHPGDLMNA
SCHEMBL8184777 0.83 TPMT (0.62) MAPTMEN1KMT2AHPGDTPMT
SCHEMBL6725156 0.80 MRGPRX4 (0.51) MAPTMEN1KMT2ATPMTLMNA
SCHEMBL28070439 0.78 MEN1 (0.59) MAPTMEN1KMT2AHPGDTPMT
SCHEMBL1190543 0.77 TPMT (0.70) MAPTMEN1KMT2AHPGDTPMT
SCHEMBL3137542 0.76 HPGD (0.66) MAPTMEN1KMT2AHPGDLMNA
SCHEMBL5220434 0.75 TPMT (0.81) MAPTMEN1KMT2AHPGDTPMT
SCHEMBL11276396 0.75 TDP1 (0.83) MAPTMEN1KMT2AHPGDLMNA
SCHEMBL11109657 0.75 AKR1C3 (0.49) MAPTMEN1KMT2AHPGDLMNA
SCHEMBL29493652 0.74 TPMT (0.74) MAPTMEN1KMT2AHPGDTPMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0954299-A4 METHOD OF TREATING MALIGNANT TUMORS WITH THYROXINE ANALOGUES HAVING NO SIGNIFICANT HORMONAL ACTIVITY OCTAMER INC (US) 2000-09-06 EP disclosed
EP-0954299-A1 METHOD OF TREATING MALIGNANT TUMORS WITH THYROXINE ANALOGUES HAVING NO SIGNIFICANT HORMONAL ACTIVITY Octamer, Inc. (US) 1999-11-10 EP disclosed
WO-1997046228-A1 METHOD OF TREATING MALIGNANT TUMORS WITH THYROXINE ANALOGUES HAVING NO SIGNIFICANT HORMONAL ACTIVITY OCTAMER, INC. (US) 1997-12-11 WO disclosed