SCHEMBL17384207

SCHEMBL17384207

C=CS(=O)(=O)CCCC(=O)Nc1cc(/N=N/c2c(NC(C)=O)ccc3cc(S(=O)(=O)O)cc(O)c23)c(S(=O)(=O)O)cc1/N=N/c1ccc(S(=O)(=O)C=C)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 3/20 0.42
▸ ENPP2 Q13822 8/20 0.41
▸ CA2 P00918 1/20 0.39
▸ CA3 P07451 1/20 0.39
▸ SUMO2 P61956 1/20 0.36
▸ SUMO1 P63165 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP2 Q9HC62 1/20 0.36
▸ CYP1A2 P05177 3/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CD40 P25942 1/20 0.34
▸ CD40LG P29965 1/20 0.34
▸ MAPK1 P28482 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ DNASE1L3 Q13609 1/20 0.32
▸ PRMT3 O60678 1/20 0.32
▸ EP300 Q09472 1/20 0.32
▸ PRMT6 Q96LA8 1/20 0.32
▸ CASP6 P55212 1/20 0.32

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
SCHEMBL17384335 0.90 ENPP2 (0.42) PRMT1ENPP2CA2CA3SUMO2
SCHEMBL17384336 0.90 ENPP2 (0.49) PRMT1ENPP2CA2CA3SUMO2
SCHEMBL17384020 0.90 MEN1 (0.41) PRMT1ENPP2SUMO2SUMO1SENP7
SCHEMBL17384218 0.82 PRMT1 (0.47) PRMT1ENPP2CYP1A2MAPK1ALDH1A1
SCHEMBL17384208 0.82 ENPP2 (0.39) PRMT1ENPP2CA2CA3SUMO2
SCHEMBL17384019 0.79 PRMT1 (0.44) PRMT1ENPP2CYP1A2CYP2C9MAPK1
SCHEMBL17384217 0.79 ENPP2 (0.46) PRMT1ENPP2SUMO2SUMO1SENP7
SCHEMBL17384045 0.77 ENPP2 (0.36) PRMT1ENPP2CA2CA3SUMO2
SCHEMBL17384219 0.75 ENPP2 (0.52) PRMT1ENPP2CA2CA3SUMO2
SCHEMBL17384274 0.74 ENPP2 (0.39) PRMT1ENPP2CA2CA3SUMO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015193104-A1 MIXTURES OF REACTIVE DYES HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2015-12-23 — — WO disclosed
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