SCHEMBL9130984

SCHEMBL9130984

O=S(=O)(O)c1c(N=Nc2ccccn2)cc2ccccc2c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.60
▸ LMNA P02545 2/20 0.60
▸ MAPT P10636 2/20 0.60
▸ OPRK1 P41145 2/20 0.60
▸ HTT P42858 2/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ NPSR1 Q6W5P4 2/20 0.60
▸ TDP1 Q9NUW8 2/20 0.60
▸ L3MBTL1 Q9Y468 2/20 0.60
▸ PKM P14618 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ HPGD P15428 2/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ HIF1A Q16665 2/20 0.49
▸ KCNH2 Q12809 8/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ HSP90AA1 P07900 1/20 0.48
▸ ALOX12 P18054 1/20 0.48

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
SCHEMBL11829843 0.80 SUMO2 (0.53) MAPTTDP1L3MBTL1KMT2AHPGD
SCHEMBL10521527 0.80 CYP1A2 (0.57) KDM4ELMNAMAPTOPRK1HTT
SCHEMBL4639218 0.80 CYP1A2 (0.57) KDM4ELMNAMAPTOPRK1HTT
SCHEMBL10593663 0.77 CYP2D6 (0.51) MAPTTDP1KMT2AHPGDCYP1A2
SCHEMBL21686429 0.76 PHLPP2 (0.61) KDM4ELMNAMAPTOPRK1HTT
SCHEMBL284105 0.76 L3MBTL1 (1.00) KDM4ELMNAMAPTOPRK1HTT
SCHEMBL31621738 0.76 L3MBTL1 (1.00) KDM4ELMNAMAPTOPRK1HTT
SCHEMBL284106 0.76 L3MBTL1 (1.00) KDM4ELMNAMAPTOPRK1HTT
SCHEMBL11407326 0.74 LMNA (0.62) KDM4ELMNAMAPTOPRK1HTT
SCHEMBL11407323 0.74 LMNA (0.62) KDM4ELMNAMAPTOPRK1HTT

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
US-5421897-A Applying liquid composition to surface contaminated with lead, solidifying into matrix which sequesters lead, removing matrix GRAWE JOHN (US) 1995-06-06 — — US disclosed
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