SCHEMBL7744980

SCHEMBL7744980

O=[N+]([O-])Cc1cc(F)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.42
ATM Q13315 1/20 0.42
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 7/20 0.41
HIF1A Q16665 2/20 0.41
MAPT P10636 3/20 0.40
VCAM1 P19320 3/20 0.39
SLC6A4 P31645 1/20 0.39
ESPL1 Q14674 1/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 2/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL7750740 0.86 SLC6A4 (0.44) TDP1ATMMEN1RAB9AKMT2A
SCHEMBL30296562 0.83 TDP1 (0.42) TDP1ATMMEN1RAB9AKMT2A
SCHEMBL1862661 0.83 TDP1 (0.42) TDP1ATMMEN1RAB9AKMT2A
SCHEMBL29580289 0.79 TDP1 (0.52) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL123793 0.79 TDP1 (0.52) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL14578462 0.79 TDP1 (0.52) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL138641 0.77 TDP1 (0.50) TDP1ATMALDH1A1HIF1AMAPT
SCHEMBL30953155 0.77 TDP1 (0.50) TDP1ATMALDH1A1HIF1AMAPT
SCHEMBL10713293 0.77 ALDH1A1 (0.46) TDP1ATMMEN1RAB9AKMT2A
SCHEMBL8915124 0.76 ATM (0.42) TDP1ATMMEN1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0781757-B1 Process for the preparation of fluorinated benzoic acids ABBOTT LAB (US) 2001-01-03 EP disclosed
EP-0610384-B1 PROCESS FOR THE PREPARATION OF FLUORINATED BENZOIC ACIDS ABBOTT LAB (US) 1997-09-03 EP disclosed
EP-0781757-A1 Process for the preparation of fluorinated benzoic acids ABBOTT LABORATORIES (US) 1997-07-02 EP disclosed
US-5637765-A Process for the preparation of fluorinated benzoic acids ABBOTT LABORATORIES (US) 1997-06-10 US disclosed
US-5633399-A Process for the preparation of fluorinated benzoic acids ABBOTT LABORATORIES (US) 1997-05-27 US disclosed
US-5576455-A Process for the preparation of fluorinated benzoic acids ABBOTT LABORATORIES (US) 1996-11-19 US disclosed
EP-0610384-A4 PROCESS FOR THE PREPARATION OF FLUORINATED BENZOIC ACIDS. ABBOTT LAB (US) 1995-01-25 EP disclosed
EP-0610384-A1 PROCESS FOR THE PREPARATION OF FLUORINATED BENZOIC ACIDS. ABBOTT LAB (US) 1994-08-17 EP disclosed
WO-1993009077-A2 PROCESS FOR THE PREPARATION OF FLUORINATED BENZOIC ACIDS ABBOTT LABORATORIES (US) 1993-05-13 WO disclosed