SCHEMBL7053491

SCHEMBL7053491

CC(=O)c1cccc(CO[NH])c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 16/20 0.55
MAOA P21397 4/20 0.54
MRGPRX4 Q96LA9 3/20 0.52
TP53 P04637 2/20 0.45
PKM P14618 2/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RAB9A P51151 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL6665880 0.85 MAOB (0.58) MAOBMAOAMRGPRX4TP53PKM
SCHEMBL3149977 0.84 MAOB (0.57) MAOBMAOAMRGPRX4TP53PKM
SCHEMBL7053494 0.82 MAOB (0.55) MAOBMAOAMRGPRX4CYP3A4
SCHEMBL6667400 0.82 MAOB (0.55) MAOBMAOAMRGPRX4SMN1; SMN2RAB9A
SCHEMBL22227443 0.80 MAOB (0.49) MAOBMAOAMRGPRX4RAB9ANPC1
SCHEMBL2642749 0.79 MAOB (0.51) MAOBMAOAMRGPRX4RAB9ANPC1
SCHEMBL6669551 0.79 MAOB (0.53) MAOBMAOAMRGPRX4RAB9A
SCHEMBL26724693 0.79 MAOB (0.53) MAOBMAOAMRGPRX4TP53PKM
SCHEMBL12872536 0.79 MAOB (0.53) MAOBMAOAMRGPRX4TP53PKM
SCHEMBL19251337 0.79 MAOB (0.53) MAOBMAOAMRGPRX4

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