SCHEMBL5133476

SCHEMBL5133476

O=C(NCCO)c1ccc2[nH]c(-c3ccc(Cl)c4c[nH]cc34)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.50
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
TP53 P04637 1/20 0.43
CASP1 P29466 1/20 0.43
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HSD17B10 Q99714 1/20 0.40
ALPL P05186 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
FFAR1 O14842 1/20 0.38
MAPT P10636 2/20 0.37
MAOB P27338 2/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
TNKS2 Q9H2K2 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
SCHEMBL5133622 0.91 TERT (0.44) HPGDPOLBHTTMEN1KMT2A
SCHEMBL5132492 0.80 KDR (0.55) ALDH1A1
SCHEMBL5134533 0.80 FFAR1 (0.43) FFAR1
SCHEMBL3041519 0.78 HPGD (0.45) HPGDPOLBHTTALDH1A1KDM4E
SCHEMBL5046975 0.76 FFAR1 (0.41) HPGDPOLBALDH1A1KDM4EKMT2A
SCHEMBL3039016 0.73 KDR (0.44) HPGDPOLBHTTALDH1A1KDM4E
SCHEMBL27720764 0.71 MAPT (0.41) HPGDPOLBHTTALDH1A1KDM4E
SCHEMBL5043948 0.71 FFAR1 (0.40) FFAR1
SCHEMBL5134535 0.71 PRKCB (0.40) HTTALDH1A1FFAR1
SCHEMBL5133315 0.69 KDR (0.46) HPGDKMT2AMAPT

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-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 EP disclosed