SCHEMBL8630917

SCHEMBL8630917

Cc1cc(CN)c(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2cc(S(=O)(=O)O)ccc2C3=O)c(S(=O)(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ HPGD P15428 3/20 0.50
▸ MAPK1 P28482 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ NSD2 O96028 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ THRB P10828 2/20 0.50
▸ RECQL P46063 2/20 0.50
▸ P2RY1 P47900 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ GNG2 P59768 5/20 0.48
▸ GNB1 P62873 5/20 0.48
▸ PHLPP2 Q6ZVD8 2/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46

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
SCHEMBL8631829 0.90 GNG2 (0.60) ALDH1A1HPGDMAPK1MEN1NSD2
SCHEMBL8632318 0.86 GNG2 (0.48) ALDH1A1HPGDMAPK1MEN1NSD2
SCHEMBL8636372 0.86 GNG2 (0.48) ALDH1A1HPGDMAPK1MEN1NSD2
SCHEMBL11683034 0.83 P2RY4 (0.49) ALDH1A1HPGDMAPK1MEN1NSD2
SCHEMBL11680736 0.82 GNG2 (0.56) ALDH1A1HPGDMAPK1P2RY1GNG2
SCHEMBL8634590 0.80 GNG2 (0.61) ALDH1A1HPGDMAPK1MEN1NSD2
SCHEMBL8634052 0.79 GNG2 (0.49) ALDH1A1HPGDMAPK1MEN1NSD2
SCHEMBL8634834 0.79 GNG2 (0.49) ALDH1A1HPGDMAPK1MEN1NSD2
SCHEMBL11678111 0.78 GNG2 (0.48) ALDH1A1HPGDMAPK1MEN1NSD2
SCHEMBL8631426 0.78 GNG2 (0.48) ALDH1A1HPGDMAPK1MEN1NSD2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0602550-B1 Watersoluble anthraquinone compounds, process for their preparation and their use as dyestuffes DYSTAR TEXTILFARBEN GMBH & CO (DE) 1998-08-19 — — EP disclosed
EP-0601416-B1 Watersoluble anthraquinone compounds, process for their preparation and their use as dyestuffs DYSTAR TEXTILFARBEN GMBH & CO (DE) 1998-07-15 — — EP disclosed
US-5498713-A FIBER-REACTIVE DYES HOECHST AKTIENGESELLSCHAFT (DE) 1996-03-12 — — US disclosed
EP-0602550-A1 Watersoluble anthraquinone compounds, process for their preparation and their use as dyestuffes HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-22 — — EP disclosed
EP-0601416-A1 Watersoluble anthraquinone compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-15 — — EP disclosed
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