SCHEMBL7749455

SCHEMBL7749455

O=[N+]([O-])c1cc(Cl)c(C(Cl)(Cl)Cl)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
HIF1A Q16665 2/20 0.46
VCAM1 P19320 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
ATM Q13315 1/20 0.43
TSHR P16473 3/20 0.41
CYP3A4 P08684 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41
ESPL1 Q14674 1/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 3/20 0.38
HTT P42858 3/20 0.38
MAPT P10636 3/20 0.38
MITF O75030 1/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL31297346 0.93 ALDH1A1 (0.46) ALDH1A1HIF1AVCAM1TDP1ATM
SCHEMBL3077114 0.93 ALDH1A1 (0.46) ALDH1A1HIF1AVCAM1TDP1ATM
SCHEMBL5605388 0.87 ALDH1A1 (0.44) ALDH1A1HIF1AVCAM1TDP1ATM
SCHEMBL7750707 0.86 ALDH1A1 (0.41) ALDH1A1HIF1AVCAM1TDP1ATM
SCHEMBL31549994 0.81 TDP1 (0.46) ALDH1A1HIF1AVCAM1TDP1ATM
SCHEMBL10907266 0.81 TDP1 (0.46) ALDH1A1HIF1AVCAM1TDP1ATM
SCHEMBL29580289 0.81 TDP1 (0.52) ALDH1A1HIF1AVCAM1TDP1ATM
SCHEMBL123793 0.81 TDP1 (0.52) ALDH1A1HIF1AVCAM1TDP1ATM
SCHEMBL14578462 0.81 TDP1 (0.52) ALDH1A1HIF1AVCAM1TDP1ATM
SCHEMBL10906595 0.79 TSHR (0.47) ALDH1A1HIF1AVCAM1TDP1TSHR

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