SCHEMBL5590833

SCHEMBL5590833

c1ccc(-c2nnc(-c3ccccn3)c(-c3ccccn3)n2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.65
KDM4E B2RXH2 11/20 0.59
TDP1 Q9NUW8 3/20 0.59
HIF1A Q16665 8/20 0.55
LMNA P02545 7/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
HTT P42858 5/20 0.55
MITF O75030 1/20 0.55
NPC1 O15118 2/20 0.52
PHLPP2 Q6ZVD8 1/20 0.51
ALOX15 P16050 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
CCR1 P32246 2/20 0.50
CCR5 P51681 2/20 0.50
CCR8 P51685 2/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
METAP1 P53582 1/20 0.50
BLM P54132 1/20 0.50
DOHH Q9BU89 1/20 0.50

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
SCHEMBL5590017 0.89 HIF1A (0.66) TP53KDM4ETDP1HIF1ALMNA
SCHEMBL5590746 0.89 HIF1A (0.66) TP53KDM4ETDP1HIF1ALMNA
SCHEMBL5590717 0.87 HIF1A (0.59) TP53KDM4ETDP1HIF1ALMNA
SCHEMBL30272734 0.83 HIF1A (0.68) TP53KDM4ETDP1HIF1ALMNA
SCHEMBL149565 0.83 HIF1A (0.68) TP53KDM4ETDP1HIF1ALMNA
SCHEMBL5590434 0.82 SMN1; SMN2 (0.62) TP53KDM4ETDP1HIF1ALMNA
SCHEMBL5590610 0.82 SMN1; SMN2 (0.62) TP53KDM4ETDP1HIF1ALMNA
SCHEMBL323086 0.80 KDM4E (0.68) TP53KDM4ETDP1HIF1ALMNA
SCHEMBL2852298 0.80 TP53 (1.00) TP53KDM4ETDP1HIF1ALMNA
SCHEMBL30694104 0.80 TP53 (1.00) TP53KDM4ETDP1HIF1ALMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070020519-A1 Anode active material, manufacturing method thereof and lithium battery using the anode active material SAMSUNG SDI CO., LTD. (KR) 2007-01-25 US disclosed
US-20060076537-A1 Rhenium compounds ISIS INNOVATION LIMITED (GB) 2006-04-13 US disclosed