SCHEMBL6998567

SCHEMBL6998567

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
KCNMA1 Q12791 1/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
MAOB P27338 3/20 0.41
PDE7A Q13946 1/20 0.41
MAOA P21397 1/20 0.41
TTR P02766 1/20 0.41
CES2 O00748 2/20 0.40
CES1 P23141 1/20 0.40
AR P10275 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HSP90AA1 P07900 1/20 0.39
KMT2A Q03164 1/20 0.39
SNCA P37840 1/20 0.39
HSPB1 P04792 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
SCHEMBL28999961 0.87 MAPT (0.53) ATMTDP1KCNMA1MAPTLMNA
SCHEMBL404750 0.82 TDP1 (0.53) ATMTDP1KCNMA1MAPTLMNA
SCHEMBL404749 0.81 ATM (0.52) ATMTDP1KCNMA1MAPTLMNA
SCHEMBL621197 0.81 TDP1 (0.52) ATMTDP1KCNMA1MAPTLMNA
Hydrochloric Acid SCHEMBL26110373 0.81 TDP1 (0.52) ATMTDP1KCNMA1MAPTLMNA
SCHEMBL4817687 0.81 ATM (0.52) ATMTDP1KCNMA1MAPTPDE7A
SCHEMBL539834 0.77 TDP1 (0.47) ATMTDP1KCNMA1MAPTALDH1A1
SCHEMBL22064874 0.77 TDP1 (0.47) ATMTDP1KCNMA1MAPTLMNA
SCHEMBL16111494 0.77 TDP1 (0.47) ATMTDP1KCNMA1MAPTLMNA
SCHEMBL1668405 0.77 L3MBTL1 (0.54) ATMTDP1KCNMA1MAPTLMNA

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-0921119-B1 Pyrrole derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-07-02 EP disclosed
US-6114360-A Pyrrole compounds ADIR ET COMPAGNIE (FR) 2000-09-05 US disclosed
US-6063804-A Pyrrole compounds ADIR ET COMPAGNIE (FR) 2000-05-16 US disclosed
EP-0921119-A1 Pyrrole derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-06-09 EP disclosed