SCHEMBL8594512

SCHEMBL8594512

O=S(=O)(O)c1ccc(N=Nc2ccc(N=Nc3cc(S(=O)(=O)O)c(O)c4cc(S(=O)(=O)O)ccc34)c(S(=O)(=O)O)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD40 P25942 1/20 0.54
▸ CD40LG P29965 1/20 0.54
▸ HSD17B10 Q99714 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ SENP3 Q9H4L4 4/20 0.53
▸ SENP2 Q9HC62 4/20 0.53
▸ SENP1 Q9P0U3 4/20 0.53
▸ SUMO2 P61956 2/20 0.53
▸ SUMO1 P63165 2/20 0.53
▸ SENP7 Q9BQF6 2/20 0.53
▸ ENPP2 Q13822 1/20 0.50
▸ ATIC P31939 1/20 0.50
▸ PHLPP2 Q6ZVD8 2/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ RPS6KA3 P51812 1/20 0.47
▸ PTPRC P08575 1/20 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
SCHEMBL8594508 1.00 CD40 (0.54) CD40CD40LGHSD17B10CYP2C9CYP2C19
SCHEMBL15274163 0.85 ATIC (0.59) CD40CD40LGHSD17B10CYP2C9CYP2C19
SCHEMBL15276091 0.84 CYP2C9 (0.71) CD40CD40LGHSD17B10CYP2C9CYP2C19
SCHEMBL1598803 0.82 THRB (0.69) CD40CD40LGHSD17B10CYP2C9CYP2C19
SCHEMBL26386 0.82 THRB (0.69) CD40CD40LGHSD17B10CYP2C9CYP2C19
SCHEMBL4659395 0.82 THRB (0.69) CD40CD40LGHSD17B10CYP2C9CYP2C19
SCHEMBL12177954 0.81 SENP2 (0.77) CD40CD40LGHSD17B10CYP2C9CYP2C19
SCHEMBL8779986 0.81 SENP2 (0.77) CD40CD40LGHSD17B10CYP2C9CYP2C19
SCHEMBL28661864 0.81 THRB (0.67) CD40CD40LGHSD17B10CYP2C9CYP2C19
SCHEMBL1598797 0.81 THRB (0.67) CD40CD40LGHSD17B10CYP2C9CYP2C19

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-0711404-B1 REAGENT SYSTEM FOR CALIBRATION OF PIPETTES AND OTHER VOLUMETRIC MEASURING DEVICES ARTEL INC (US) 1998-01-14 — — EP disclosed
EP-0711404-A1 REAGENT SYSTEM FOR CALIBRATION OF PIPETTES AND OTHER VOLUMETRIC MEASURING DEVICES ARTEL, INC. (US) 1996-05-15 — — EP disclosed
US-5492673-A Reagent system for calibration of pipettes and other volumetric measuring devices ARTEL, INC. (US) 1996-02-20 — — US disclosed
WO-1995002166-A1 REAGENT SYSTEM FOR CALIBRATION OF PIPETTES AND OTHER VOLUMETRIC MEASURING DEVICES ARTEL, INC. (US) 1995-01-19 — — WO disclosed
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