SCHEMBL1666057

SCHEMBL1666057

O=C(Nc1cccc(C(F)(F)F)c1)OCc1ccncc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.64
POLB P06746 1/20 0.58
KDR P35968 5/20 0.57
BRAF P15056 1/20 0.57
MAPK14 Q16539 1/20 0.57
TNNI3K Q59H18 1/20 0.57
FLT1 P17948 3/20 0.56
TRPV1 Q8NER1 1/20 0.56
ABL1 P00519 1/20 0.56
EGFR P00533 1/20 0.56
CSF1R P07333 1/20 0.56
PDGFRB P09619 1/20 0.56
KIT P10721 1/20 0.56
FLT4 P35916 1/20 0.56
RXFP1 Q9HBX9 1/20 0.54
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.53
XBP1 P17861 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL19688778 0.88 MGLL (0.76) MGLLRXFP1MAPTMEN1GAA
SCHEMBL13528827 0.80 MAPK14 (0.73) KDRBRAFMAPK14TNNI3KABL1
SCHEMBL1334862 0.80 POLB (0.88) MGLLPOLBMAPTNAMPTSMN1; SMN2
SCHEMBL19745427 0.79 ALDH1A1 (0.56) MGLLMAPTMEN1GAAXBP1
SCHEMBL2094340 0.79 MAPT (0.61) MGLLMAPTMEN1GAAXBP1
SCHEMBL7565660 0.79 SMN1; SMN2 (0.62) POLBMAPTMEN1GAAXBP1
SCHEMBL11616056 0.79 NAMPT (0.74) KDRBRAFMAPK14TNNI3KFLT1
SCHEMBL1665485 0.78 POLB (0.84) MGLLPOLBMAPTMEN1KMT2A
SCHEMBL3174300 0.78 KDR (0.70) POLBKDRBRAFMAPK14TNNI3K
SCHEMBL19745670 0.78 HDAC1 (0.58) MGLLMAPTMEN1KMT2A

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
EP-2313094-A1 NEW PYRIDINE DERIVATIVES AS LEPTIN RECEPTOR MODULATOR MIMETICS AstraZeneca AB (SE) 2011-04-27 EP claimed
WO-2009147216-A1 NEW PYRIDINE DERIVATIVES AS LEPTIN RECEPTOR MODULATOR MIMETICS BIOVITRUM AB (PUBL) (SE) 2009-12-10 WO claimed
EP-2313094-A1 NEW PYRIDINE DERIVATIVES AS LEPTIN RECEPTOR MODULATOR MIMETICS AstraZeneca AB (SE) 2011-04-27 EP disclosed
WO-2009147216-A1 NEW PYRIDINE DERIVATIVES AS LEPTIN RECEPTOR MODULATOR MIMETICS BIOVITRUM AB (PUBL) (SE) 2009-12-10 WO disclosed