SCHEMBL6201563

SCHEMBL6201563

O=C(c1ccc(Cl)cc1)C(Cc1ccccc1F)n1cncn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
MAPT P10636 1/20 0.42
KMT2A Q03164 5/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
MDM2 Q00987 1/20 0.41
CYP19A1 P11511 2/20 0.40
DPP4 P27487 1/20 0.39
MEN1 O00255 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
HSP90AA1 P07900 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
DNMT3A Q9Y6K1 1/20 0.37
ALDH1A1 P00352 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37

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
SCHEMBL6319766 0.91 MAPT (0.44) MAPTKMT2AHTTMDM2CYP19A1
SCHEMBL6202493 0.83 MAPT (0.60) PPARGMAPTKMT2ALMNAHTT
SCHEMBL6222574 0.81 CYP19A1 (0.49) PPARGPPARAMAPTKMT2AMDM2
SCHEMBL10468609 0.81 KMT2A (0.56) MAPTKMT2ALMNAHTTCYP19A1
SCHEMBL6221534 0.80 HPGD (0.45) MAPTKMT2AHTTMEN1SMN1; SMN2
SCHEMBL6202771 0.80 KMT2A (0.54) MAPTKMT2ALMNAHTTCYP19A1
SCHEMBL10799731 0.78 CYP19A1 (0.48) MAPTKMT2ALMNAHTTCYP19A1
SCHEMBL10418945 0.77 HSP90AA1 (0.48) MAPTKMT2ALMNAHTTCYP19A1
SCHEMBL10879896 0.76 CYP19A1 (0.49) PPARGPPARAMAPTKMT2ALMNA
SCHEMBL10364784 0.76 KMT2A (0.54) MAPTKMT2ALMNAHTTCYP19A1

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
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed