SCHEMBL3467988

SCHEMBL3467988

O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)Oc1ccc(Cl)cc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.69
▸ LMNA P02545 1/20 0.65
▸ MAPT P10636 1/20 0.65
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ POLB P06746 3/20 0.59
▸ ALDH1A1 P00352 3/20 0.58
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ TP53 P04637 1/20 0.55
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ SIRT2 Q8IXJ6 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.51
▸ GLS O94925 1/20 0.51

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
SCHEMBL3468581 0.82 TP53 (0.65) SMN1; SMN2LMNAMAPTL3MBTL1POLB
SCHEMBL20887240 0.81 KDM4E (0.79) SMN1; SMN2LMNAMAPTL3MBTL1POLB
SCHEMBL3472807 0.80 LMNA (0.54) SMN1; SMN2LMNAMAPTL3MBTL1POLB
SCHEMBL3467104 0.80 L3MBTL1 (0.65) SMN1; SMN2L3MBTL1POLBALDH1A1MEN1
SCHEMBL12793509 0.80 MEN1 (0.76) SMN1; SMN2LMNAMAPTL3MBTL1ALDH1A1
SCHEMBL12838825 0.77 ALDH1A1 (0.72) SMN1; SMN2LMNAMAPTL3MBTL1POLB
SCHEMBL29047587 0.76 L3MBTL1 (0.60) SMN1; SMN2L3MBTL1POLBALDH1A1MEN1
SCHEMBL32672104 0.76 POLB (0.59) SMN1; SMN2LMNAMAPTPOLBALDH1A1
SCHEMBL3467629 0.74 L3MBTL1 (0.71) SMN1; SMN2L3MBTL1POLBALDH1A1MEN1
SCHEMBL3467628 0.74 GLS (0.50) SMN1; SMN2LMNAMAPTPOLBALDH1A1

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