SCHEMBL7750740

SCHEMBL7750740

O=[N+]([O-])Cc1cc(F)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.44
ALDH1A1 P00352 7/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
POLB P06746 1/20 0.38
HIF1A Q16665 2/20 0.37
SNCA P37840 1/20 0.37
CYP3A4 P08684 2/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TXNRD1 Q16881 1/20 0.36
TXNRD3 Q86VQ6 1/20 0.36
TXNRD2 Q9NNW7 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL7744980 0.86 TDP1 (0.42) SLC6A4ALDH1A1MAPTMEN1RAB9A
SCHEMBL29894735 0.83 SLC6A4 (0.44) SLC6A4ALDH1A1MAPTMEN1RAB9A
SCHEMBL30953155 0.77 TDP1 (0.50) SLC6A4ALDH1A1MAPTTSHRTDP1
SCHEMBL9694173 0.77 TSHR (0.50) SLC6A4ALDH1A1MAPTTSHRTDP1
SCHEMBL138641 0.77 TDP1 (0.50) SLC6A4ALDH1A1MAPTTSHRTDP1
SCHEMBL18370840 0.76 ALDH1A1 (0.43) SLC6A4ALDH1A1MAPTMEN1RAB9A
SCHEMBL30110338 0.74 TSHR (0.50) SLC6A4ALDH1A1MAPTTSHRTDP1
SCHEMBL3543539 0.74 TSHR (0.50) SLC6A4ALDH1A1MAPTTSHRTDP1
SCHEMBL29739925 0.74 TDP1 (0.50) SLC6A4ALDH1A1MAPTTSHRTDP1
SCHEMBL432601 0.74 TDP1 (0.50) SLC6A4ALDH1A1MAPTTSHRTDP1

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