SCHEMBL7734702

SCHEMBL7734702

O=S(=O)(O)Oc1cc(O)cc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.48
SLC22A6 Q4U2R8 1/20 0.46
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
MPI P34949 1/20 0.43
CDC25B P30305 3/20 0.41
FABP1 P07148 1/20 0.40
CYP2D6 P10635 1/20 0.40
CISD1 Q9NZ45 1/20 0.38
TRPM4 Q8TD43 1/20 0.37
MPL P40238 3/20 0.37
CTRC Q99895 1/20 0.36
CYP1A2 P05177 2/20 0.35
CHEK1 O14757 1/20 0.35
GLA P06280 1/20 0.35
CYP2C19 P33261 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
SCHEMBL11022340 0.85 NQO2 (0.52) NQO2KDM4EMEN1ALDH1A1HPGD
SCHEMBL2656359 0.81 NQO2 (0.43) NQO2KDM4EMEN1ALDH1A1HPGD
SCHEMBL30064989 0.81 NQO2 (0.43) NQO2KDM4EMEN1ALDH1A1HPGD
SCHEMBL275479 0.78 SLC22A6 (0.51) SLC22A6KDM4EMEN1ALDH1A1HPGD
SCHEMBL21117322 0.77 NQO2 (0.59) NQO2KDM4EMEN1ALDH1A1HPGD
SCHEMBL7447156 0.77 MEN1 (0.40) NQO2KDM4EMEN1ALDH1A1HPGD
Ammonia Solution, Strong SCHEMBL10605012 0.77 FABP1 (0.50) SLC22A6KDM4EMEN1ALDH1A1HPGD
Water SCHEMBL2147729 0.77 FABP1 (0.50) SLC22A6KDM4EMEN1ALDH1A1HPGD
SCHEMBL8766960 0.76 NQO2 (0.53) NQO2SLC22A6CYP2D6CISD1TRPM4
SCHEMBL11014959 0.76 SLC22A6 (0.43) SLC22A6MEN1ALDH1A1HPGDKMT2A

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-6420181-B1 DETECTING PREFERENTIAL PARTICLE IN SOLUTION; OBTAIN SOLUTION CONTAINING PARTICLE, MIX WITH SOLVENT, INSERT INTO TUBE, INCUBATE WITH CHROMOGENIC DETECTION INDICATOR, MONITOR SAMPLE FOR SIGNAL THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY 2002-07-16 US disclosed
US-4946779-A HYPERGLYCEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-08-07 US disclosed