SCHEMBL9168717

SCHEMBL9168717

Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c(S)c2)cc1S(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.43
▸ CA1 P00915 3/20 0.42
▸ CA2 P00918 3/20 0.42
▸ CTDSP1 Q9GZU7 2/20 0.42
▸ CASP6 P55212 1/20 0.42
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ CDC25B P30305 1/20 0.40
▸ TIMP3 P35625 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ PKM P14618 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA9 Q16790 1/20 0.39

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
SCHEMBL8952302 0.83 POLB (0.60) CA1CA2CTDSP1CASP6NPC1
SCHEMBL394298 0.81 MEN1 (0.60) ENPP2CA1CA2CTDSP1CASP6
SCHEMBL11702580 0.79 MEN1 (0.64) CA1CA2NPC1RAB9AMEN1
SCHEMBL17491043 0.78 KMT2A (0.51) ENPP2CA1CA2CTDSP1CASP6
SCHEMBL11588532 0.78 ENPP2 (0.44) ENPP2CA1CA2CTDSP1CASP6
SCHEMBL10887712 0.78 CD40 (0.56) CA1CA2NPC1RAB9AMEN1
SCHEMBL8673667 0.78 KCNK3 (0.54) CA1CA2NPC1RAB9AMEN1
SCHEMBL4905086 0.77 PTGS1 (0.54) ENPP2MEN1KMT2AKDM4E
SCHEMBL9169144 0.76 TIMP3 (0.45) CA1CA2CASP6CDC25BTIMP3
SCHEMBL11736141 0.75 MEN1 (0.61) CA1CA2CASP6NPC1RAB9A

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-0355586-B1 Anthraquinone dye compounds having fibers reactive group SUMITOMO CHEMICAL CO (JP) 1995-04-05 — — EP disclosed
US-5266696-A Colorfast dyes, dyeing, printing and dyed fibers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-11-30 — — US disclosed
US-5112971-A ANTHRAQUINONE DYE COMPOUNDS HAVING FIBERS REACTIVE GROUP SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-05-12 — — US disclosed
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