SCHEMBL4584732

SCHEMBL4584732

Nc1cccc(N)c1-c1cc(O)c(-c2c(N)cccc2N)cc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.48
TSHR P16473 3/20 0.48
TDP1 Q9NUW8 3/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MCL1 Q07820 2/20 0.42
POLB P06746 1/20 0.42
PABPC1 P11940 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CSNK1D P48730 1/20 0.42
BLM P54132 1/20 0.42
PLEC Q15149 1/20 0.42
CSNK1G1 Q9HCP0 1/20 0.42
PTPRC P08575 1/20 0.41
ADORA2A P29274 1/20 0.41
BACE1 P56817 1/20 0.40
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39

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
SCHEMBL6574036 0.84 PDE10A (0.48) ALOX15TSHRTDP1HPGDSMN1; SMN2
SCHEMBL5687598 0.81 TSHR (0.45) ALOX15TSHRTDP1HPGDSMN1; SMN2
SCHEMBL2938831 0.77 PDE10A (0.45) ALOX15TSHRTDP1HPGDSMN1; SMN2
SCHEMBL2941104 0.77 NPC1 (0.46) ALOX15TSHRTDP1HPGDSMN1; SMN2
SCHEMBL2938543 0.76 ALOX15 (0.57) ALOX15TSHRTDP1HPGDSMN1; SMN2
SCHEMBL2939962 0.76 ALOX15 (0.57) ALOX15TSHRTDP1HPGDSMN1; SMN2
SCHEMBL6781112 0.74 PDE10A (0.57) ALOX15TSHRTDP1HPGDSMN1; SMN2
SCHEMBL2936081 0.73 AURKA (0.46) ALOX15TSHRTDP1HPGDSMN1; SMN2
SCHEMBL2937813 0.73 PLAU (0.46) ALOX15TSHRTDP1HPGDSMN1; SMN2
SCHEMBL2938263 0.73 ALOX15 (0.54) ALOX15TSHRTDP1HPGDSMN1; SMN2

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-2008022633-A2 SEMICONDUCTING ADDITION POLYMERS HAVING A COLUMNAR STRUCTURE WERNER JOHANNES (DE) 2008-02-28 WO disclosed