SCHEMBL7053815

SCHEMBL7053815

[NH]Cc1cccc(C(=O)C(F)(F)F)c1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.53
CES1 P23141 1/20 0.52
MLYCD O95822 4/20 0.46
HDAC6 Q9UBN7 3/20 0.43
HDAC1 Q13547 1/20 0.41
FOLH1 Q04609 1/20 0.41
HDAC4 P56524 1/20 0.40

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
SCHEMBL7054323 0.84 ACHE (0.54) ACHECES1MLYCDHDAC6FOLH1
SCHEMBL7054327 0.84 ACHE (0.54) ACHECES1MLYCDHDAC6FOLH1
SCHEMBL7053819 0.82 LOXL2 (0.56) ACHECES1MLYCDHDAC6
SCHEMBL19745468 0.82 ACHE (0.53) ACHECES1MLYCDHDAC6FOLH1
SCHEMBL8755253 0.80 CES1 (0.70) ACHECES1MLYCDHDAC6HDAC1
SCHEMBL21291426 0.79 ACHE (0.58) ACHECES1MLYCDHDAC6HDAC4
SCHEMBL8635766 0.79 ACHE (0.46) ACHECES1MLYCDHDAC6HDAC1
SCHEMBL15716148 0.78 ACHE (0.53) ACHECES1
SCHEMBL7052964 0.77 CES1 (0.54) CES1MLYCD
SCHEMBL5760887 0.77 FOLH1 (0.66) FOLH1

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