SCHEMBL7745002

SCHEMBL7745002

O=C(O)C(C(=O)O)c1cc(F)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
VCAM1 P19320 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
CYP1A2 P05177 2/20 0.37
TSHR P16473 2/20 0.37
GRIA2 P42262 1/20 0.36
GPR35 Q9HC97 1/20 0.36
ESPL1 Q14674 1/20 0.36
GRM8 O00222 1/20 0.35
GRM6 O15303 1/20 0.35
GRM4 Q14833 1/20 0.35
MAPK1 P28482 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
SCHEMBL7744997 1.00 ATM (0.39) ATMTDP1VCAM1ALDH1A1MEN1
SCHEMBL7744960 0.88 VCAM1 (0.38) ATMTDP1VCAM1ALDH1A1MEN1
SCHEMBL7744957 0.88 VCAM1 (0.38) ATMTDP1VCAM1ALDH1A1MEN1
SCHEMBL7749617 0.85 VCAM1 (0.45) VCAM1ALDH1A1MEN1LMNAMAPT
SCHEMBL7749628 0.85 VCAM1 (0.45) VCAM1ALDH1A1MEN1LMNAMAPT
SCHEMBL2729263 0.85 ATM (0.42) ATMTDP1VCAM1ALDH1A1MEN1
SCHEMBL2729257 0.85 ATM (0.42) ATMTDP1VCAM1ALDH1A1MEN1
SCHEMBL24875688 0.85 AKR1C3 (0.39) ATMTDP1VCAM1ALDH1A1MEN1
SCHEMBL30875133 0.85 AKR1C3 (0.39) ATMTDP1VCAM1ALDH1A1MEN1
SCHEMBL8769251 0.82 ALDH1A1 (0.54) ATMTDP1ALDH1A1MEN1LMNA

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 8 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-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