SCHEMBL14168654

SCHEMBL14168654

Nc1c(/N=N/c2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)O)cc2cc(SOOO)c(/N=N/c3ccccc3)c(O)c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 7/20 0.57
▸ THRB P10828 1/20 0.42
▸ PHLPP2 Q6ZVD8 1/20 0.38
▸ CYP1A2 P05177 3/20 0.38
▸ PTPN2 P17706 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ PTPN6 P29350 1/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ SUMO2 P61956 2/20 0.36
▸ SUMO1 P63165 2/20 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
SCHEMBL14602383 0.97 ENPP2 (0.57) ENPP2THRBPHLPP2CYP1A2PTPN2
SCHEMBL13287309 0.92 ENPP2 (0.55) ENPP2THRBPHLPP2CYP1A2PTPN11
SCHEMBL13991094 0.89 ENPP2 (0.55) ENPP2THRBPHLPP2CYP1A2SUMO2
SCHEMBL13238843 0.88 ENPP2 (0.51) ENPP2THRBPHLPP2CYP1A2PTPN11
SCHEMBL13498716 0.88 ENPP2 (0.57) ENPP2THRBPHLPP2CYP1A2CYP3A4
SCHEMBL29678423 0.87 ENPP2 (0.68) ENPP2THRBPHLPP2CYP1A2PTPN2
SCHEMBL3179864 0.87 ENPP2 (0.68) ENPP2THRBPHLPP2CYP1A2PTPN2
SCHEMBL15497814 0.87 ENPP2 (0.68) ENPP2THRBPHLPP2CYP1A2PTPN2
SCHEMBL1984266 0.87 ENPP2 (0.68) ENPP2THRBPHLPP2CYP1A2PTPN2
SCHEMBL25245977 0.86 ENPP2 (0.67) ENPP2THRBPHLPP2CYP1A2PTPN2

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-20080143896-A1 WINDOW SHADING SYSTEM ELECTRONICALLY SHADED GLASS, INC. 2008-06-19 — — US disclosed
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