SCHEMBL12062856

SCHEMBL12062856

CN=Nc1cc(C)c(N=Nc2cc3c(S(=O)(=O)O)cc(S(=O)(=O)O)cc3cc2S(=O)(=O)O)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 7/20 0.49
▸ PTPN1 P18031 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ PRMT1 Q99873 1/20 0.39
▸ SUMO2 P61956 1/20 0.39
▸ SUMO1 P63165 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP3 Q9H4L4 1/20 0.39
▸ SENP2 Q9HC62 1/20 0.39
▸ SENP1 Q9P0U3 1/20 0.39
▸ TP53 P04637 2/20 0.37
▸ BRD4 O60885 2/20 0.37
▸ CREBBP Q92793 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL12062944 0.94 ENPP2 (0.44) ENPP2PTPN1ALDH1A1HIF1APRMT1
SCHEMBL17460971 0.90 ENPP2 (0.47) ENPP2PTPN1ALDH1A1HIF1APRMT1
SCHEMBL17283957 0.90 ENPP2 (0.47) ENPP2PTPN1ALDH1A1HIF1APRMT1
SCHEMBL12054251 0.86 ENPP2 (0.44) ENPP2PTPN1ALDH1A1HIF1ASUMO2
SCHEMBL17284074 0.86 ENPP2 (0.53) ENPP2ALDH1A1HIF1APRMT1SUMO2
SCHEMBL18633562 0.84 ENPP2 (0.49) ENPP2PTPN1ALDH1A1HIF1ASUMO2
SCHEMBL19958200 0.84 ENPP2 (0.48) ENPP2PTPN1ALDH1A1HIF1APRMT1
SCHEMBL17681942 0.83 ALDH1A1 (0.49) ENPP2PTPN1ALDH1A1HIF1ASUMO2
SCHEMBL12054230 0.80 ATIC (0.40) ENPP2PTPN1ALDH1A1HIF1APRMT1
SCHEMBL17681937 0.80 SENP2 (0.47) ENPP2ALDH1A1HIF1APRMT1SUMO2

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
US-8083811-B2 Mixtures of reactive dyes and their use in a method for trichromatic dyeing or printing HUNTSMAN INTERNATIONAL LLC (US) 2011-12-27 — — US disclosed
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