SCHEMBL7048345

SCHEMBL7048345

[NH]c1cccc(C(=O)C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.58
CES1 P23141 2/20 0.57
HDAC6 Q9UBN7 3/20 0.44
HDAC1 Q13547 1/20 0.44
CES2 O00748 2/20 0.41
PLA2G2D Q9UNK4 1/20 0.39
MLYCD O95822 3/20 0.39
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
PARP1 P09874 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
SCHEMBL8755253 0.85 CES1 (0.70) ACHECES1HDAC6HDAC1CES2
SCHEMBL1273634 0.79 CES1 (0.65) ACHECES1HDAC6HDAC1CES2
SCHEMBL30166168 0.79 CES1 (0.65) ACHECES1HDAC6HDAC1CES2
SCHEMBL22506972 0.78 ACHE (0.59) ACHECES1HDAC6HDAC1CES2
SCHEMBL6295066 0.78 CES1 (0.65) ACHECES1HDAC6HDAC1PLA2G2D
SCHEMBL6263144 0.78 ACHE (0.59) ACHECES1HDAC6TP53GAA
SCHEMBL19267581 0.76 ACHE (0.68) ACHECES1HDAC6HDAC1CES2
SCHEMBL7048349 0.76 ACHE (0.58) ACHECES1HDAC6PARP1
SCHEMBL7052467 0.76 ACHE (0.58) ACHECES1HDAC6HDAC1CES2
SCHEMBL312610 0.76 ACHE (0.62) ACHECES1HDAC6PARP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882715-B1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA CHEMICAL IND CO LTD (JP) 2003-04-23 EP disclosed
US-6339045-B1 CAN BE USED IN A SMALL AMOUNT, SHOWING A GOOD SELECTIVITY BETWEEN CROP AND WEED, AND CAUSING NO PHYTOTOXICITY KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2002-01-15 US disclosed
EP-0882715-A1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-12-09 EP disclosed