SCHEMBL5324940

SCHEMBL5324940

O=Cc1ccc(F)c(OCCOC2CCCCO2)c1F

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KDM4C Q9H3R0 1/20 0.38
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
P2RX3 P56373 6/20 0.33

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
SCHEMBL31267284 0.80 MEN1 (0.40) MEN1KMT2AL3MBTL1KDM4CNPC1
SCHEMBL411707 0.79 MEN1 (0.41) MEN1KMT2AL3MBTL1KDM4CNPC1
SCHEMBL12634797 0.77 ALDH1A1 (0.55) MEN1KMT2AL3MBTL1KDM4CNPC1
SCHEMBL8509829 0.76 MEN1 (0.44) MEN1KMT2AL3MBTL1KDM4CNPC1
SCHEMBL5883038 0.76 MEN1 (0.38) MEN1KMT2AL3MBTL1KDM4CNPC1
SCHEMBL5883537 0.75 MEN1 (0.40) MEN1KMT2AL3MBTL1KDM4CNPC1
SCHEMBL31267334 0.74 L3MBTL1 (0.41) MEN1KMT2AL3MBTL1KDM4CNPC1
SCHEMBL31267424 0.74 L3MBTL1 (0.41) MEN1KMT2AL3MBTL1KDM4CNPC1
SCHEMBL4119494 0.73 MEN1 (0.58) MEN1KMT2AL3MBTL1KDM4CNPC1
SCHEMBL1704820 0.72 ICAM1 (0.39) MEN1KMT2AL3MBTL1KDM4CNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007002325-A1 PYRROLO[2,3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO disclosed