SCHEMBL19864574

SCHEMBL19864574

O=C(O)c1ccc2c(n1)CCCN2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 2/20 0.38
ALOX15 P16050 1/20 0.38
ACMSD Q8TDX5 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
MGAM O43451 1/20 0.36
GNE Q9Y223 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
KDM5A P29375 1/20 0.33
JMJD1C Q15652 1/20 0.33
KDM3A Q9Y4C1 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
GRIA1 P42261 1/20 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
SCHEMBL20571533 0.85 MAPT (0.40) KDM4EMAPTTSHRALOX15TDP1
SCHEMBL20571711 0.81 GAA (0.39) KDM4EMAPTOGASPRGAA
SCHEMBL20571845 0.81 P2RX7 (0.43) KDM4EMAPTTDP1KMT2ALMNA
SCHEMBL22050066 0.78 TP53 (0.39) KDM4EMAPTTDP1LMNAOGA
SCHEMBL30540616 0.76 PIM1 (0.38) KDM4EMAPTTSHRKMT2ALMNA
SCHEMBL29775930 0.73 KDM4E (0.38) KDM4EMAPTTSHRALOX15ACMSD
SCHEMBL14610720 0.73 ITGB3 (0.46) KDM4EMAPT
SCHEMBL19153670 0.72 UHRF1 (0.41) KDM4EMAPTTSHRALOX15TDP1
SCHEMBL31394471 0.72 ALDH1A1 (0.44) KDM4ETSHRALOX15ACMSDTDP1
SCHEMBL22235162 0.72 ALDH1A1 (0.44) KDM4ETSHRALOX15ACMSDTDP1

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-2018030550-A1 HETEROCYCLIC COMPOUNDS WITH AN ROR(GAMMA)T MODULATING ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-02-15 WO disclosed