SCHEMBL16005758

SCHEMBL16005758

O=C(O)c1ccc(-n2c(-c3ccc(F)cc3)cc3c4ccccc4ccc32)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.41
KDM4E B2RXH2 3/20 0.41
GLA P06280 2/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A1 P04798 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP1B1 Q16678 2/20 0.37
XDH P47989 1/20 0.37
ANO1 Q5XXA6 1/20 0.37
PTGER1 P34995 4/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
NR4A1 P22736 1/20 0.36

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
SCHEMBL2995277 0.92 KDM4E (0.46) HPGDKDM4EGLAMAPTTSHR
SCHEMBL3000516 0.89 KDM4E (0.39) HPGDKDM4EGLAMAPTTSHR
SCHEMBL2995853 0.85 KDM4E (0.40) HPGDKDM4EGLAMAPTTSHR
SCHEMBL2991598 0.80 KDM4E (0.44) HPGDKDM4EGLAMAPTTSHR
SCHEMBL2992434 0.79 HPGD (0.38) HPGDKDM4EGLAMAPTTSHR
SCHEMBL14403823 0.77 HPGD (0.37) HPGDKDM4EGLAMAPTTSHR
SCHEMBL2989466 0.77 KDM4E (0.46) KDM4EMAPTTSHRHSD17B10TDP1
SCHEMBL13890320 0.74 HIF1A (0.36) HPGDKDM4EGLAMAPTTSHR
SCHEMBL12091770 0.72 PTGER4 (0.45) HPGDKDM4EMAPTTSHRHTT
SCHEMBL13890316 0.70 TSHR (0.36) HPGDKDM4EGLAMAPTTSHR

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
EP-1809601-B1 COMPOUNDS FOR ALZHEIMER'S DISEASE MANFREDI JOHN (US) 2014-09-10 EP disclosed