SCHEMBL3472807

SCHEMBL3472807

O=C(Nc1nnc(Cc2ccncc2)s1)Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.54
▸ MAPT P10636 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ POLB P06746 4/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.48
▸ MEN1 O00255 6/20 0.47
▸ KMT2A Q03164 6/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ DNMT1 P26358 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ DUSP3 P51452 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ CACNA1B Q00975 1/20 0.46
▸ APBA1 Q02410 1/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ WRN Q14191 1/20 0.46

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
SCHEMBL3467926 0.81 SCD (0.51) LMNAMAPTPOLBSMN1; SMN2ALDH1A1
SCHEMBL3467988 0.80 SMN1; SMN2 (0.69) LMNAMAPTL3MBTL1POLBSMN1; SMN2
SCHEMBL20887245 0.74 SMN1; SMN2 (0.61) LMNAMAPTPOLBSMN1; SMN2ALDH1A1
SCHEMBL5445001 0.71 BLM (0.61) LMNAMAPTL3MBTL1POLBSMN1; SMN2
SCHEMBL3467629 0.70 L3MBTL1 (0.71) L3MBTL1POLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL3467628 0.70 GLS (0.50) LMNAMAPTPOLBSMN1; SMN2ALDH1A1
SCHEMBL5448580 0.70 HTT (0.72) LMNAMAPTL3MBTL1POLBSMN1; SMN2
SCHEMBL3467090 0.70 MEN1 (0.68) LMNAMAPTL3MBTL1POLBSMN1; SMN2
SCHEMBL32672104 0.70 POLB (0.59) LMNAMAPTPOLBSMN1; SMN2ALDH1A1
SCHEMBL5446203 0.69 KMT2A (0.56) MAPTL3MBTL1POLBSMN1; SMN2MEN1

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
WO-2010073011-A2 COMPOUNDS USEFUL AS MEDICAMENTS BETAGENON AB (SE) 2010-07-01 — — WO claimed
WO-2010073011-A2 COMPOUNDS USEFUL AS MEDICAMENTS BETAGENON AB (SE) 2010-07-01 — — WO disclosed
Send feedback