SCHEMBL7052967

SCHEMBL7052967

NCc1ccc(C(=O)C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.54
HDAC3 O15379 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
MLYCD O95822 12/20 0.50
LOXL2 Q9Y4K0 2/20 0.50
F10 P00742 1/20 0.47

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
SCHEMBL7053819 0.81 LOXL2 (0.56) CES1HDAC6MLYCDLOXL2
SCHEMBL7051793 0.81 CES1 (0.56) CES1MLYCD
SCHEMBL7051795 0.81 CES1 (0.56) CES1MLYCD
Aminomethylbenzoic Acid SCHEMBL7422142 0.80 ALDH1A1 (0.50) HDAC3HDAC6NCOR2LOXL2F10
SCHEMBL25488955 0.79 HDAC3 (0.52) HDAC3HDAC6NCOR2LOXL2F10
SCHEMBL7052964 0.79 CES1 (0.54) CES1MLYCD
SCHEMBL16880390 0.79 CES1 (0.54) CES1MLYCD
SCHEMBL11658423 0.79 LOXL2 (0.55) HDAC3HDAC6NCOR2LOXL2F10
SCHEMBL5865895 0.79 MLYCD (0.59) CES1HDAC6MLYCD
SCHEMBL4354550 0.79 CES1 (0.54) CES1MLYCD

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