SCHEMBL7053886

SCHEMBL7053886

C[N]c1cccc(C(C)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NOS1 P29475 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
NOS3 P29474 1/20 0.41
NOS2 P35228 1/20 0.41
HTT P42858 1/20 0.41
CREBBP Q92793 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL47337 0.83 KMT2A (0.49) ALDH1A1KMT2AMEN1MAPTMAPK1
SCHEMBL9292438 0.83 NOS3 (0.57) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL28545671 0.80 KMT2A (0.51) ALDH1A1KMT2AMEN1MAPTMAPK1
SCHEMBL28655754 0.80 MAPT (0.58) ALDH1A1KMT2AMEN1MAPTMAPK1
SCHEMBL279656 0.79 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1MAPK1TDP1
SCHEMBL60465 0.79 KMT2A (0.47) ALDH1A1KMT2AMEN1MAPTMAPK1
SCHEMBL16488035 0.79 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1MAPTMAPK1
SCHEMBL6930691 0.79 HTR3E (0.56) NOS1NOS3NOS2
SCHEMBL30681217 0.78 MAPT (0.69) ALDH1A1KMT2AMEN1MAPTMAPK1
SCHEMBL28423902 0.78 MAPT (0.69) ALDH1A1KMT2AMEN1MAPTMAPK1

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