SCHEMBL12053188

SCHEMBL12053188

C=CS(=O)(=O)c1ccc(/N=N/c2c(N)cc(N)c(/N=N/c3ccc(S(=O)(=O)C=C)cc3S(=O)(=O)O)c2C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.45
▸ SENP2 Q9HC62 5/20 0.43
▸ SUMO2 P61956 4/20 0.43
▸ SUMO1 P63165 4/20 0.43
▸ SENP7 Q9BQF6 4/20 0.43
▸ PHLPP2 Q6ZVD8 4/20 0.43
▸ SENP1 Q9P0U3 4/20 0.40
▸ SENP3 Q9H4L4 3/20 0.40
▸ CD40 P25942 1/20 0.40
▸ CD40LG P29965 1/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ STAT6 P42226 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ PRMT1 Q99873 1/20 0.39
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ATIC P31939 1/20 0.37
▸ MEN1 O00255 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
SCHEMBL13387211 0.81 PHLPP2 (0.59) ENPP2SENP2SUMO2SUMO1SENP7
SCHEMBL7712980 0.81 SENP2 (0.53) ENPP2SENP2SUMO2SUMO1SENP7
SCHEMBL7712976 0.81 SENP2 (0.53) ENPP2SENP2SUMO2SUMO1SENP7
SCHEMBL17148649 0.78 ENPP2 (0.48) ENPP2SENP2SUMO2SUMO1SENP7
SCHEMBL14557133 0.73 THRB (0.38) ENPP2SENP2SUMO2SUMO1SENP7
SCHEMBL17109628 0.72 ENPP2 (0.51) ENPP2SENP2SUMO2SUMO1SENP7
SCHEMBL24019203 0.72 THRB (0.45) ENPP2SENP2SUMO2SUMO1SENP7
SCHEMBL22413439 0.70 PHLPP2 (0.42) ENPP2PHLPP2CD40CD40LGCYP1A2
SCHEMBL14371953 0.70 APP (0.73) ENPP2SENP2SUMO2SUMO1SENP7
SCHEMBL17109636 0.69 MEN1 (0.48) ENPP2SENP2SUMO2SUMO1SENP7

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
US-8080101-B2 Azo reactive dyes and mixtures of fiber-reactive azo dyes, their preparation and their use DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2011-12-20 — — US disclosed
US-20080295732-A1 Azo Reactive Dyes And Mixtures Of Fiber-Reactive Azo Dyes, Their Preparation And Their Use DYSTAR TEXTILFARBEN GMBH &CO. DEUTSCHLAND KG (DE) 2008-12-04 — — US disclosed
Send feedback