SCHEMBL7744995

SCHEMBL7744995

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
VCAM1 P19320 2/20 0.36
MAPT P10636 4/20 0.33
NR3C1 P04150 1/20 0.33
NR3C2 P08235 1/20 0.33
LMNA P02545 1/20 0.33
RAF1 P04049 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
GFER P55789 1/20 0.33
PAX8 Q06710 1/20 0.33
KDM4E B2RXH2 1/20 0.33
BRAF P15056 1/20 0.33
CHEK1 O14757 1/20 0.33

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
SCHEMBL7749634 0.90 ALDH1A1 (0.39) ALDH1A1VCAM1MAPTLMNARAF1
SCHEMBL7750945 0.89 ALDH1A1 (0.42) ALDH1A1VCAM1MAPTLMNARAF1
SCHEMBL7749462 0.85 ALDH1A1 (0.43) ALDH1A1VCAM1MAPTLMNARAF1
SCHEMBL8769251 0.83 ALDH1A1 (0.54) ALDH1A1MAPTLMNARAF1HPGD
SCHEMBL4855450 0.78 ALDH1A1 (0.47) ALDH1A1MAPTLMNA
SCHEMBL4850984 0.78 ALDH1A1 (0.47) ALDH1A1VCAM1MAPTLMNAMAPK1
SCHEMBL13268975 0.77 ALDH1A1 (0.43) ALDH1A1VCAM1MAPTLMNARAF1
SCHEMBL13465753 0.77 ALDH1A1 (0.43) ALDH1A1MAPTNR3C2LMNARAF1
SCHEMBL16207495 0.75 ALDH1A1 (0.46) ALDH1A1MAPTLMNA
SCHEMBL16216341 0.75 ALDH1A1 (0.46) ALDH1A1MAPTLMNA

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