SCHEMBL3467628

SCHEMBL3467628

O=C(Nc1nnc(Cc2ccccc2Cl)s1)Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 3/20 0.50
▸ POLB P06746 1/20 0.48
▸ DGAT1 O75907 1/20 0.47
▸ LMNA P02545 5/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ MAPT P10636 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ HTT P42858 2/20 0.47
▸ CASP6 P55212 1/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SRC P12931 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43

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
SCHEMBL2198160 0.77 GLS (0.79) GLSDGAT1NPC1RAB9A
SCHEMBL3467988 0.74 SMN1; SMN2 (0.69) GLSPOLBLMNAMEN1MAPT
SCHEMBL1011592 0.71 POLB (0.68) GLSPOLBLMNAMEN1MAPT
SCHEMBL32672104 0.70 POLB (0.59) GLSPOLBDGAT1LMNAMEN1
SCHEMBL3472807 0.70 LMNA (0.54) POLBLMNAMEN1MAPTKMT2A
SCHEMBL12026796 0.70 GLS (0.54) GLSPOLBLMNAMEN1MAPT
SCHEMBL17193491 0.70 GLS (0.82) GLSPOLBLMNAMEN1KMT2A
SCHEMBL17193288 0.69 GLS (0.80) GLSPOLBLMNAMEN1KMT2A
SCHEMBL5345562 0.68 GLS (0.67) GLSPOLBLMNAMEN1MAPT
SCHEMBL3467926 0.68 SCD (0.51) GLSPOLBLMNAMEN1MAPT

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
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