SCHEMBL7656221

SCHEMBL7656221

O=C(O)c1ccc([N+](=O)[O-])cc1-c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
CYP3A4 P08684 1/20 0.54
ALOX15 P16050 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MYC P01106 1/20 0.48
MAX P61244 1/20 0.48
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
GCGR P47871 1/20 0.43
MAPK14 Q16539 1/20 0.43
HSP90AA1 P07900 1/20 0.43
PTGS2 P35354 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL9474889 0.91 ALDH1A1 (0.60) ALDH1A1CYP3A4ALOX15TDP1MYC
SCHEMBL9190149 0.86 TDP1 (0.61) ALDH1A1CYP3A4ALOX15TDP1MYC
SCHEMBL630072 0.86 MYC (0.62) ALDH1A1CYP3A4ALOX15TDP1MYC
SCHEMBL31376933 0.86 MYC (0.62) ALDH1A1CYP3A4ALOX15TDP1MYC
SCHEMBL29029525 0.85 ALDH1A1 (0.62) ALDH1A1CYP3A4ALOX15TDP1MYC
SCHEMBL27457722 0.85 ALDH1A1 (0.54) ALDH1A1CYP3A4ALOX15TDP1MYC
SCHEMBL30954059 0.85 ALDH1A1 (0.54) ALDH1A1CYP3A4ALOX15TDP1MYC
SCHEMBL5696813 0.85 ALDH1A1 (0.54) ALDH1A1CYP3A4ALOX15TDP1MYC
SCHEMBL9141253 0.85 ALDH1A1 (0.54) ALDH1A1CYP3A4ALOX15TDP1MYC
SCHEMBL10605676 0.84 ALDH1A1 (0.68) ALDH1A1CYP3A4ALOX15TDP1MYC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6410539-B1 ANTICARCINOGENIC AGENTS ASTRAZENCA UK LIMITED (GB) 2002-06-25 US disclosed
EP-1054865-A1 FARNESYL TRANSFERASE INHIBITORS AstraZeneca UK Limited (GB) 2000-11-29 EP disclosed
EP-1025089-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS FARNESYL PROTEIN TRANSFERASE INHIBITORS ZENECA LIMITED (GB) 2000-08-09 EP disclosed
WO-1999041235-A1 FARNESYL TRANSFERASE INHIBITORS ASTRAZENECA UK LIMITED (GB) 1999-08-19 WO disclosed
WO-1999020612-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS FARNESYL PROTEIN TRANSFERASE INHIBITORS ASTRAZENECA UK LIMITED (GB) 1999-04-29 WO disclosed