SCHEMBL2030511

SCHEMBL2030511

Nc1c(N=Nc2cc([N+](=O)[O-])cc(Cl)c2O)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 7/20 0.58
▸ PRMT1 Q99873 1/20 0.53
▸ CYP1A2 P05177 3/20 0.52
▸ CYP2C9 P11712 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ DNASE1L3 Q13609 1/20 0.46
▸ APEX1 P27695 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ PHLPP2 Q6ZVD8 2/20 0.40
▸ SUMO2 P61956 2/20 0.39
▸ SUMO1 P63165 2/20 0.39
▸ SENP7 Q9BQF6 2/20 0.39
▸ SENP2 Q9HC62 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ GRK2 P25098 1/20 0.39
▸ PLEC Q15149 1/20 0.39
▸ NT5E P21589 1/20 0.39
▸ FUT8 Q9BYC5 1/20 0.38

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
SCHEMBL4625380 1.00 ENPP2 (0.58) ENPP2PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL4625377 0.88 APEX1 (0.55) ENPP2PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL10769149 0.83 ENPP2 (0.63) ENPP2PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL2028368 0.83 ENPP2 (0.63) ENPP2PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL4627537 0.83 ENPP2 (0.63) ENPP2PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL15153907 0.83 ENPP2 (0.78) ENPP2PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL8819426 0.83 ENPP2 (0.78) ENPP2PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL10380130 0.83 ENPP2 (0.78) ENPP2PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL15153905 0.82 ENPP2 (0.77) ENPP2PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL7062602 0.81 PRMT1 (0.42) ENPP2PRMT1CYP1A2CYP2C9MAPK1

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 192 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778176-B1 COMPOSITION FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL AG & CO KGAA (DE) 2012-07-25 — — EP claimed
EP-1432388-B1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL AG & CO KGAA (DE) 2008-06-18 — — EP claimed
EP-1778176-A2 MEANS FOR COLOURING KERATIN-CONTAINING FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2007-05-02 — — EP claimed
EP-1534227-B1 AGENTS USED FOR DYEING KERATINOUS FIBERS HENKEL KGAA (DE) 2006-12-27 — — EP claimed
EP-1311231-B1 AGENT FOR COLOURING KERATIN-CONTAINING FIBRES COMPRISING AT LEAST ONE OXOCYCLOPENTENE DERIVATIVE HENKEL KGAA (DE) 2006-11-22 — — EP claimed
EP-1292271-B1 AGENT FOR DYEING FIBRES CONTAINING KERATIN HENKEL KGAA (DE) 2006-11-08 — — EP claimed
EP-1715839-A1 AGENTS FOR COLOURING FIBRES CONTAINING KERATIN, COMPRISING HETEROCYCLIC ENAMINES AND REACTIVE CARBONYL COMPOUNDS AND/OR REACTION PRODUCTS THEREOF Henkel Kommanditgesellschaft auf Aktien (DE) 2006-11-02 — — EP claimed
EP-1432428-B1 Agent for colouring fibres containing keratin HENKEL KGAA (DE) 2006-11-02 — — EP claimed
EP-1433469-B1 Composition for dyeing keratinous fibres HENKEL KGAA (DE) 2006-10-11 — — EP claimed
US-7105032-B2 Agents used for dyeing keratinous fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-09-12 — — US claimed
EP-1300135-A1 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 — — EP claimed
EP-1292268-A2 AGENT FOR DYEING KERATIN CONTAINING FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2003-03-19 — — EP claimed
EP-1200050-A2 DYEING AGENT FOR KERATINOUS FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2002-05-02 — — EP claimed
EP-1199065-A2 Hair dye Henkel Kommanditgesellschaft auf Aktien (DE) 2002-04-24 — — EP claimed
WO-2001097762-A1 AGENT FOR COLOURING KERATIN-CONTAINING FIBRES COMPRISING AT LEAST ONE OXOCYCLOPENTENE DERIVATIVE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-12-27 — — WO claimed
WO-2001097764-A2 AGENT FOR DYEING KERATIN CONTAINING FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-12-27 — — WO claimed
WO-2001089587-A2 AGENTS FOR DYEING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-11-29 — — WO claimed
WO-2001089460-A2 COLORANT FOR FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-11-29 — — WO claimed
WO-2001047485-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-07-05 — — WO claimed
WO-2001010379-A2 DYEING AGENT FOR KERATINOUS FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-02-15 — — WO claimed
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