SCHEMBL7750707

SCHEMBL7750707

O=[N+]([O-])c1cc(Cl)c(F)cc1C(Cl)(Cl)Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
TSHR P16473 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
HIF1A Q16665 2/20 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
SLC6A4 P31645 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 1/20 0.38
VCAM1 P19320 5/20 0.36
GPR35 Q9HC97 2/20 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
SCHEMBL24557845 0.86 ALDH1A1 (0.49) ALDH1A1TSHRTDP1HIF1ACYP3A4
SCHEMBL7749455 0.86 ALDH1A1 (0.46) ALDH1A1TSHRTDP1HIF1ACYP3A4
SCHEMBL9694173 0.79 TSHR (0.50) ALDH1A1TSHRTDP1HIF1ACYP3A4
SCHEMBL30953155 0.79 TDP1 (0.50) ALDH1A1TSHRTDP1HIF1ACYP3A4
SCHEMBL138641 0.79 TDP1 (0.50) ALDH1A1TSHRTDP1HIF1ACYP3A4
SCHEMBL10812794 0.79 ALDH1A1 (0.49) ALDH1A1TSHRTDP1HIF1ACYP3A4
SCHEMBL31297346 0.79 ALDH1A1 (0.46) ALDH1A1TSHRTDP1HIF1ACYP3A4
SCHEMBL3077114 0.79 ALDH1A1 (0.46) ALDH1A1TSHRTDP1HIF1ACYP3A4
SCHEMBL27819982 0.78 TSHR (0.41) ALDH1A1TSHRTDP1HIF1ACYP3A4
SCHEMBL3543539 0.75 TSHR (0.50) ALDH1A1TSHRTDP1HIF1ACYP3A4

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