SCHEMBL7048445

SCHEMBL7048445

C[N]c1ccc(C(C)=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.63
RAB9A P51151 4/20 0.63
NPC1 O15118 3/20 0.63
NOS1 P29475 3/20 0.61
NOS3 P29474 2/20 0.61
MAPK1 P28482 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
STAT3 P40763 1/20 0.59
STAT1 P42224 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
KDM4E B2RXH2 1/20 0.53
CYP1A1 P04798 2/20 0.52
CYP1B1 Q16678 1/20 0.52
HPGD P15428 3/20 0.50
LMNA P02545 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B1 P14061 1/20 0.48
ALDH1A1 P00352 1/20 0.43
KCNJ1 P48048 1/20 0.42

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
SCHEMBL29042753 0.82 MAPT (0.83) MAPTRAB9ANPC1NOS1NOS3
SCHEMBL18806562 0.82 MAPT (0.83) MAPTRAB9ANPC1NOS1NOS3
SCHEMBL14336603 0.82 MAPT (0.83) MAPTRAB9ANPC1NOS1NOS3
SCHEMBL14524471 0.81 MAPT (0.67) MAPTRAB9ANPC1NOS1NOS3
SCHEMBL50646 0.81 MAPT (0.68) MAPTRAB9ANPC1NOS1NOS3
SCHEMBL10223094 0.80 NOS3 (0.61) MAPTRAB9ANPC1NOS1NOS3
SCHEMBL1806941 0.80 TSHR (0.60) NPC1NOS1SMN1; SMN2HPGDKMT2A
SCHEMBL15435836 0.78 NOS1 (0.72) MAPTRAB9ANPC1NOS1NOS3
SCHEMBL11706363 0.78 NOS1 (0.59) MAPTRAB9ANPC1NOS1NOS3
SCHEMBL11706353 0.78 NOS1 (0.59) MAPTRAB9ANPC1NOS1NOS3

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