SCHEMBL17323135

SCHEMBL17323135

C=C(Br)C(=O)Nc1cccc(N=Nc2c(N)ccc3c(O)c(N=Nc4cc(NC(=O)C(=C)Br)ccc4S(=O)(=O)O)ccc23)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.41
▸ CD40 P25942 1/20 0.41
▸ CD40LG P29965 1/20 0.41
▸ ENPP2 Q13822 8/20 0.40
▸ SENP2 Q9HC62 5/20 0.40
▸ SENP1 Q9P0U3 5/20 0.40
▸ PRMT3 O60678 1/20 0.38
▸ EP300 Q09472 1/20 0.38
▸ PRMT6 Q96LA8 1/20 0.38
▸ PRMT1 Q99873 1/20 0.38
▸ SENP3 Q9H4L4 4/20 0.37
▸ SUMO2 P61956 3/20 0.37
▸ SUMO1 P63165 3/20 0.37
▸ SENP7 Q9BQF6 3/20 0.37
▸ MPL P40238 1/20 0.36
▸ CTRC Q99895 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
SCHEMBL15985945 0.85 ENPP2 (0.47) CYP1A2CD40CD40LGENPP2SENP2
SCHEMBL7514937 0.71 NT5E (0.38) ENPP2PRMT1
SCHEMBL29584388 0.70 APEX1 (0.48) CD40CD40LGENPP2SENP2SENP1
SCHEMBL7723677 0.69 CTDSP1 (0.45) ENPP2PRMT1
SCHEMBL14684402 0.67 ENPP2 (0.45) CD40CD40LGENPP2SENP2SENP1
SCHEMBL29429576 0.66 PTPN1 (0.43) CD40CD40LGENPP2SENP2SENP1
SCHEMBL17109633 0.65 ENPP2 (0.48) CYP1A2CD40CD40LGENPP2SENP2
SCHEMBL17109632 0.65 ENPP2 (0.48) CYP1A2CD40CD40LGENPP2SENP2
SCHEMBL12173090 0.65 — —
SCHEMBL13828509 0.64 CYP1A2 (0.58) CYP1A2ENPP2SENP2SENP1SENP3

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-9540765-B2 Mixtures of reactive dyes and their use in a method of di- or trichromatic dyeing or printing HUNTSMAN INTERNATIONAL LLC (US) 2017-01-10 — — US disclosed
US-20150354134-A1 Mixtures of Reactive Dyes and Their Use in a Method of Di- or Trichromatic Dyeing or Printing HUNTSMAN INTERNATIONAL LLC 2015-12-10 — — US disclosed
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