SCHEMBL18101484

SCHEMBL18101484

CCOc1ccc(N=Nc2ccc(-c3ccc(N=Nc4c(O)ccc5cc(S(=O)(=O)O)ccc45)c(C)c3)cc2C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 3/20 0.61
▸ CYP1A2 P05177 2/20 0.61
▸ SUMO2 P61956 1/20 0.54
▸ SUMO1 P63165 1/20 0.54
▸ SENP7 Q9BQF6 1/20 0.54
▸ SENP3 Q9H4L4 1/20 0.54
▸ SENP2 Q9HC62 1/20 0.54
▸ SENP1 Q9P0U3 1/20 0.54
▸ HIF1A Q16665 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ THRB P10828 4/20 0.51
▸ HSD17B10 Q99714 3/20 0.51
▸ MAPK1 P28482 3/20 0.51
▸ TDP1 Q9NUW8 3/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ ALOX15 P16050 2/20 0.51
▸ RECQL P46063 2/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ ENPP2 Q13822 6/20 0.49

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
SCHEMBL18084213 0.88 ALDH1A1 (0.60) CYP2C9CYP1A2SUMO2SUMO1SENP7
SCHEMBL30742587 0.81 CYP1A2 (0.70) CYP2C9CYP1A2SUMO2SUMO1SENP7
SCHEMBL8528180 0.81 CYP1A2 (0.70) CYP2C9CYP1A2SUMO2SUMO1SENP7
SCHEMBL751982 0.81 CYP1A2 (0.70) CYP2C9CYP1A2SUMO2SUMO1SENP7
SCHEMBL29390387 0.81 MAPK1 (0.77) CYP2C9CYP1A2SUMO2SUMO1SENP7
SCHEMBL28547156 0.80 CYP1A2 (0.68) CYP2C9CYP1A2SUMO2SUMO1SENP7
SCHEMBL1096353 0.78 CYP1A2 (0.76) CYP2C9CYP1A2SUMO2SUMO1SENP7
SCHEMBL15424240 0.78 HIF1A (0.76) CYP2C9CYP1A2SUMO2SUMO1SENP7
SCHEMBL1096355 0.78 CYP1A2 (0.76) CYP2C9CYP1A2SUMO2SUMO1SENP7
SCHEMBL29678237 0.78 ALDH1A1 (0.59) CYP2C9CYP1A2SUMO2SUMO1SENP7

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-20160282530-A1 COLOR MATERIAL DISPERSION LIQUID FOR COLOR FILTERS, COLOR MATERIAL, COLOR FILTER, LIQUID CRYSTAL DISPLAY DEVICE AND ORGANIC LIGHT-EMITTING DISPLAY DEVICE DAI NIPPON PRINTING CO., LTD. (JP) 2016-09-29 — — US disclosed
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