SCHEMBL7055825

SCHEMBL7055825

O=C(O)CN(CC(=O)O)S(=O)(=O)c1cc(N=Nc2ccccn2)c(O)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ OPRK1 P41145 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ PKM P14618 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ KCNH2 Q12809 13/20 0.45
▸ THRB P10828 1/20 0.42
▸ RIOK2 Q9BVS4 1/20 0.42
▸ HPGD P15428 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ MCL1 Q07820 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL14444963 1.00 KDM4E (0.46) KDM4ELMNAMAPTOPRK1HTT
SCHEMBL10521527 0.81 CYP1A2 (0.57) KDM4ELMNAMAPTOPRK1HTT
SCHEMBL4639218 0.81 CYP1A2 (0.57) KDM4ELMNAMAPTOPRK1HTT
SCHEMBL10521587 0.79 KDM4E (0.54) KDM4ELMNAMAPTOPRK1HTT
SCHEMBL4638660 0.79 KDM4E (0.54) KDM4ELMNAMAPTOPRK1HTT
SCHEMBL10887003 0.79 KDM4E (0.54) KDM4ELMNAMAPTOPRK1HTT
SCHEMBL10521592 0.79 KDM4E (0.54) KDM4ELMNAMAPTOPRK1HTT
SCHEMBL9483343 0.68 CYP1A2 (0.46) MAPTTDP1KMT2ATHRBHPGD
SCHEMBL9483353 0.68 CYP1A2 (0.46) MAPTTDP1KMT2ATHRBHPGD
SCHEMBL21686429 0.68 PHLPP2 (0.61) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0902064-B1 Magenta dyes for ink-jet inks HEWLETT PACKARD CO (US) 2003-05-07 — — EP disclosed
US-5980622-A LIGHTFASTNESS; INK JET PRINTERS HEWLETT-PACKARD COMPANY (US) 1999-11-09 — — US disclosed
EP-0902064-A1 Magenta dyes for ink-jet inks Hewlett-Packard Company (US) 1999-03-17 — — EP disclosed
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