SCHEMBL6997009

SCHEMBL6997009

O=C(C=CC(=O)c1cccnc1F)c1cccnc1F

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 2/20 0.66
HSP90AA1 P07900 1/20 0.45
KDM4E B2RXH2 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.42
AGER Q15109 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DHODH Q02127 1/20 0.39
SLC18A3 Q16572 1/20 0.38
KMT2A Q03164 1/20 0.38
PARP1 P09874 1/20 0.38
EGFR P00533 1/20 0.38

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
SCHEMBL7367541 0.85 MAPT (0.58) NAPRTHSP90AA1KDM4ETDP1ALDH1A1
SCHEMBL27612856 0.81 NAPRT (0.73) NAPRTKDM4ETDP1ALDH1A1MAPT
SCHEMBL29574424 0.79 NAPRT (1.00) NAPRTKDM4ETDP1ALDH1A1MAPT
SCHEMBL229352 0.79 NAPRT (1.00) NAPRTKDM4ETDP1ALDH1A1MAPT
SCHEMBL28705950 0.79 NAPRT (0.70) NAPRTKDM4ETDP1ALDH1A1MAPT
SCHEMBL19280924 0.79 NAPRT (1.00) NAPRTKDM4ETDP1ALDH1A1MAPT
SCHEMBL1811012 0.78 NAPRT (0.68) NAPRTKDM4ETDP1ALDH1A1MAPT
SCHEMBL447126 0.78 NAPRT (0.68) NAPRTKDM4ETDP1ALDH1A1MAPT
SCHEMBL31078773 0.78 NAPRT (0.68) NAPRTKDM4ETDP1ALDH1A1MAPT
SCHEMBL429687 0.78 NAPRT (0.68) NAPRTKDM4ETDP1ALDH1A1MAPT

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