SCHEMBL8027317

SCHEMBL8027317

O=S(=O)(O)c1ccc(N=Nc2cc3c(O)cc(S(=O)(=O)O)cc3cc2S(=O)(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.55
▸ CD40 P25942 1/20 0.53
▸ CD40LG P29965 1/20 0.53
▸ ATIC P31939 1/20 0.52
▸ CYP1A2 P05177 4/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ HIF1A Q16665 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ PRMT1 Q99873 1/20 0.50
▸ RPS6KA3 P51812 1/20 0.49
▸ NT5E P21589 1/20 0.49
▸ MAPK1 P28482 1/20 0.48
▸ DNASE1L3 Q13609 1/20 0.48
▸ SUMO2 P61956 1/20 0.48
▸ SUMO1 P63165 1/20 0.48
▸ SENP7 Q9BQF6 1/20 0.48

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
SCHEMBL10585569 0.89 PRMT1 (0.52) ENPP2CYP1A2CYP2C9ALDH1A1HIF1A
SCHEMBL9614749 0.83 ENPP2 (0.53) ENPP2CD40CD40LGATICCYP1A2
SCHEMBL9132078 0.81 ENPP2 (0.54) ENPP2CD40CD40LGATICCYP1A2
SCHEMBL4659395 0.79 THRB (0.69) ENPP2CD40CD40LGATICCYP1A2
SCHEMBL14025107 0.79 CD40 (0.81) ENPP2CD40CD40LGCYP1A2CYP2C9
SCHEMBL1598803 0.79 THRB (0.69) ENPP2CD40CD40LGATICCYP1A2
SCHEMBL26386 0.79 THRB (0.69) ENPP2CD40CD40LGATICCYP1A2
SCHEMBL5351752 0.78 HIF1A (0.68) ENPP2CD40CD40LGCYP1A2CYP2C9
SCHEMBL5351756 0.78 HIF1A (0.68) ENPP2CD40CD40LGCYP1A2CYP2C9
SCHEMBL28661864 0.78 THRB (0.67) ENPP2CD40CD40LGATICCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0972810-A1 Mixtures of reactive dyes and their use for dyeing material containing hydroxy and/or carbonamide groups DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2000-01-19 — — EP disclosed
EP-0304924-A2 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1989-03-01 — — EP disclosed
Send feedback