SCHEMBL16605632

SCHEMBL16605632

Cc1ccc(N=Nc2c(N)ccc3cc(S(C)(=O)=O)cc(O)c23)c(S(=O)(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 5/20 0.61
▸ APEX1 P27695 2/20 0.57
▸ SUMO2 P61956 2/20 0.50
▸ SUMO1 P63165 2/20 0.50
▸ SENP7 Q9BQF6 2/20 0.50
▸ SENP2 Q9HC62 2/20 0.50
▸ SENP3 Q9H4L4 1/20 0.46
▸ SENP1 Q9P0U3 1/20 0.46
▸ CYP1A2 P05177 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ PHLPP2 Q6ZVD8 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ CYP2C9 P11712 1/20 0.43
▸ PRMT1 Q99873 2/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ MPL P40238 1/20 0.40
▸ KDM4E B2RXH2 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
SCHEMBL13763516 0.94 ENPP2 (0.69) ENPP2APEX1SUMO2SUMO1SENP7
SCHEMBL6346835 0.83 APEX1 (0.73) ENPP2APEX1SUMO2SUMO1SENP7
SCHEMBL11670965 0.83 APEX1 (0.73) ENPP2APEX1SUMO2SUMO1SENP7
SCHEMBL11670482 0.83 APEX1 (0.73) ENPP2APEX1SUMO2SUMO1SENP7
SCHEMBL11670471 0.82 APEX1 (0.72) ENPP2APEX1SUMO2SUMO1SENP7
SCHEMBL13763488 0.81 CYP1A2 (0.55) ENPP2APEX1SUMO2SUMO1SENP7
SCHEMBL11226640 0.79 ENPP2 (0.67) ENPP2APEX1SUMO2SUMO1SENP7
SCHEMBL11226638 0.79 ENPP2 (0.67) ENPP2APEX1SUMO2SUMO1SENP7
SCHEMBL11758267 0.78 APEX1 (0.77) ENPP2APEX1SUMO2SUMO1SENP7
SCHEMBL3410648 0.78 APEX1 (0.77) ENPP2APEX1SUMO2SUMO1SENP7

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-20150094253-A1 Phthalocyanine particles and the use thereof BASF SE (DE) 2015-04-02 — — US disclosed
Send feedback