SCHEMBL1998196

SCHEMBL1998196

Cc1nc(N)ncc1NCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
ASPH Q12797 1/20 0.49
RIOX2 Q8IUF8 1/20 0.49
KDM8 Q8N371 1/20 0.49
F2 P00734 1/20 0.47
APP P05067 1/20 0.47
TLR8 Q9NR97 4/20 0.46
TLR7 Q9NYK1 4/20 0.46
NPC1 O15118 2/20 0.46
KDM6B O15054 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
RAB9A P51151 2/20 0.44
NUDT1 P36639 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL2002467 0.92 HDAC6 (0.53) KDM4EASPHRIOX2KDM8TLR8
SCHEMBL1998194 0.79 APP (0.57) KDM4EF2APPTLR8TLR7
SCHEMBL23472149 0.73 TLR8 (0.61) TLR8TLR7
SCHEMBL10874822 0.72 GAA (0.51) KDM4ENPC1KDM6BKDM4CRAB9A
SCHEMBL15452392 0.71 BCL6 (0.54) APPNUDT1LMNAHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL28128873 0.70 BCL6 (0.53) APPNUDT1LMNAHTTSMN1; SMN2
SCHEMBL1938196 0.70 HTR7 (0.56) APPGAA
SCHEMBL2451092 0.69 APP (0.64) APPNUDT1
SCHEMBL14007511 0.69 BACE1 (0.71) KDM4EAPPNPC1KDM6BKDM4C
SCHEMBL2002465 0.69 KDM4E (0.42) KDM4EASPHKDM8

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-2011076878-A1 AMINOALKYLPYRIMIDINE DERIVATIVES AS HISTAMINE H4 RECEPTOR ANTAGONISTS PALAU PHARMA, S.A. (ES) 2011-06-30 WO disclosed