Guaiacol

Guaiacol

SCHEMBL16180776

COc1ccccc1O.NS(=O)(=O)c1ccccc1-c1ccc(F)cn1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 7/20 0.44
FEN1 P39748 7/20 0.44
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
KDM1A O60341 1/20 0.39
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
SCN9A Q15858 1/20 0.37
FYN P06241 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
F10 P00742 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL1744740 0.86 ALOX5AP (0.55) ALOX5APFEN1CA1CA2CA12
Orthocresol SCHEMBL16180579 0.85 ALOX5AP (0.45) ALOX5APFEN1CA1CA2KDM1A
SCHEMBL16180470 0.85 ALOX5AP (0.47) ALOX5APFEN1KDM1ACA9PTGS1
2-Chlorophenol SCHEMBL16180513 0.83 ALOX5AP (0.45) ALOX5APFEN1CA1CA2KDM1A
SCHEMBL16180522 0.82 ALOX5AP (0.43) ALOX5APFEN1KDM1ACA9MEN1
SCHEMBL16180634 0.82 ALOX5AP (0.47) ALOX5APFEN1KDM1A
SCHEMBL16180585 0.80 ALOX5AP (0.43) ALOX5APFEN1CA2CA12CA9
SCHEMBL24497548 0.76 METAP2 (0.51) ALOX5APFEN1TSHRKDM1AFYN
Guaiacol SCHEMBL16180573 0.74 CA1 (0.43) CA1CA2TP53TSHRCA12
SCHEMBL27876969 0.73 KDM1A (0.51) ALOX5APFEN1CA1TP53KDM1A

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
WO-2014170792-A1 SULFONAMIDE DERIVATIVES AS URAT-1 INHIBITORS PFIZER LIMITED (GB) 2014-10-23 WO disclosed