SCHEMBL6802691

SCHEMBL6802691

O=C(O)c1ccc(NC(=O)c2cccc(F)c2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.78
MEN1 O00255 5/20 0.78
L3MBTL1 Q9Y468 2/20 0.77
NPC1 O15118 7/20 0.75
RAB9A P51151 7/20 0.75
KCNK3 O14649 2/20 0.69
MITF O75030 1/20 0.68
KDM4E B2RXH2 1/20 0.64
CASP3 P42574 1/20 0.64
SENP7 Q9BQF6 1/20 0.64
SENP6 Q9GZR1 1/20 0.64
HPGD P15428 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.62
TP53 P04637 2/20 0.62
MAPT P10636 1/20 0.62
TSHR P16473 1/20 0.62
FFAR1 O14842 1/20 0.61
PKM P14618 2/20 0.60
KCNK9 Q9NPC2 1/20 0.60
KCNQ3 O43525 1/20 0.59

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
SCHEMBL8770869 0.89 KMT2A (0.72) KMT2AMEN1L3MBTL1NPC1RAB9A
SCHEMBL30739642 0.88 KMT2A (0.86) KMT2AMEN1L3MBTL1NPC1RAB9A
SCHEMBL6027951 0.88 MEN1 (0.88) KMT2AMEN1L3MBTL1NPC1RAB9A
SCHEMBL30643220 0.88 MEN1 (0.88) KMT2AMEN1L3MBTL1NPC1RAB9A
SCHEMBL9067770 0.88 KMT2A (1.00) KMT2AMEN1L3MBTL1NPC1RAB9A
SCHEMBL1811680 0.87 L3MBTL1 (0.82) KMT2AMEN1L3MBTL1NPC1RAB9A
SCHEMBL8734134 0.87 KCNK3 (0.76) KMT2AMEN1L3MBTL1NPC1RAB9A
SCHEMBL2058359 0.86 KMT2A (0.96) KMT2AMEN1L3MBTL1NPC1RAB9A
Hydrochloric Acid SCHEMBL2106088 0.86 L3MBTL1 (0.80) KMT2AMEN1L3MBTL1NPC1RAB9A
SCHEMBL16404741 0.86 HDAC6 (0.75) KMT2AMEN1L3MBTL1NPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828427-B1 Oligomeric aminodiol-containing compounds, libraries thereof, and process of preparing the same ISIS PHARMACEUTICALS, INC. 2004-12-07 US disclosed
US-6750344-B1 MONOCYCLIC AMINE SCAFFOLD BEARING AT LEAST TWO SITES OF DIVERSITY, CYCLIZED TO FORM BICYCLIC AMINE SCAFFOLDS; 7-AMINO-PYRROLO(1,2-A)PYRAZIN-4-ONE COMPOUNDS ISIS PHARMACEUTICALS, INC. 2004-06-15 US disclosed
US-6316626-B1 Amine compounds and combinatorial libraries comprising same ISIS PHARMACEUTICALS, INC. 2001-11-13 US disclosed
WO-1999012034-A1 AMINE COMPOUNDS AND COMBINATORIAL LIBRARIES COMPRISING SAME ISIS PHARMACEUTICALS, INC. (US) 1999-03-11 WO disclosed