SCHEMBL9169144

SCHEMBL9169144

Nc1ccc(C(=O)Nc2ccc(S)cc2S(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TIMP3 P35625 3/20 0.45
▸ HSD17B10 Q99714 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ATIC P31939 1/20 0.40
▸ CDC25B P30305 1/20 0.40
▸ HDAC1 Q13547 5/20 0.40
▸ RAPGEF4 Q8WZA2 1/20 0.37
▸ MAPT P10636 4/20 0.36
▸ GAA P10253 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ RECQL P46063 3/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ USP2 O75604 1/20 0.36
▸ MMP14 P50281 1/20 0.36
▸ CA1 P00915 1/20 0.36

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
SCHEMBL9179068 0.80 CTDSP1 (0.42) HSD17B10ALDH1A1HPGDCDC25BRAPGEF4
SCHEMBL9168717 0.76 ENPP2 (0.43) TIMP3CDC25BMAPTMEN1KMT2A
SCHEMBL8952302 0.75 POLB (0.60) TIMP3SMN1; SMN2CDC25BHDAC1RAPGEF4
SCHEMBL9054973 0.75 RAPGEF4 (0.60) TIMP3HSD17B10ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL4898797 0.72 ALDH1A1 (0.47) TIMP3HSD17B10ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL1377299 0.71 CDC25B (0.56) HSD17B10ALDH1A1SMN1; SMN2HPGDCDC25B
SCHEMBL10877294 0.71 MEN1 (0.58) TIMP3HSD17B10ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL9170125 0.71 CA2 (0.44) SMN1; SMN2CDC25BHDAC1KMT2ACA1
SCHEMBL27141426 0.71 TIMP3 (0.65) TIMP3HSD17B10ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL21623079 0.70 NPC1 (0.49) SMN1; SMN2CYP1A2HDAC1MAPTGAA

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 4 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
EP-0355586-A2 Anthraquinone dye compounds having fibers reactive group SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-02-28 — — EP disclosed
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