SCHEMBL16170803

SCHEMBL16170803

CCc1ccc(/N=N/c2cc(S(=O)(=O)O)c(N)c(/N=N/c3ccc(C)cc3S(=O)(=O)O)c2N)c(S(=O)(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHLPP2 Q6ZVD8 1/20 0.52
▸ ENPP2 Q13822 2/20 0.44
▸ SENP2 Q9HC62 5/20 0.40
▸ SENP1 Q9P0U3 5/20 0.40
▸ SUMO2 P61956 4/20 0.40
▸ SUMO1 P63165 4/20 0.40
▸ SENP7 Q9BQF6 4/20 0.40
▸ SENP3 Q9H4L4 3/20 0.40
▸ ALDH1A1 P00352 6/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ MAPT P10636 4/20 0.40
▸ CYP3A4 P08684 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ HIF1A Q16665 1/20 0.40

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
SCHEMBL15044931 0.94 ENPP2 (0.48) PHLPP2ENPP2SENP2SENP1SUMO2
SCHEMBL16170719 0.79 PHLPP2 (0.42) PHLPP2ENPP2SENP2SENP1SUMO2
SCHEMBL15044700 0.78 PHLPP2 (0.47) PHLPP2ENPP2SENP2SENP1SUMO2
SCHEMBL16170914 0.74 PHLPP2 (0.46) PHLPP2ENPP2SENP2SENP1SUMO2
SCHEMBL12028012 0.73 ENPP2 (0.50) PHLPP2ENPP2SENP2SENP1SUMO2
SCHEMBL12028010 0.73 PHLPP2 (0.55) PHLPP2ENPP2SENP2SENP1SUMO2
SCHEMBL14546968 0.73 PHLPP2 (0.48) PHLPP2ENPP2SENP2SENP1SUMO2
SCHEMBL16170792 0.73 SENP2 (0.56) PHLPP2ENPP2SENP2SENP1SUMO2
SCHEMBL16170718 0.73 PHLPP2 (0.45) PHLPP2ENPP2SENP2SENP1SUMO2
SCHEMBL16170738 0.72 SENP2 (0.67) PHLPP2ENPP2SENP2SENP1SUMO2

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-8961621-B2 Azo dyes HUNTSMAN INTERNATIONAL LLC (US) 2015-02-24 — — US disclosed
US-20140304926-A1 Azo Dyes HUNTSMAN INTERNATIONAL LLC 2014-10-16 — — US disclosed
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