SCHEMBL7516288

SCHEMBL7516288

Nc1cc(C=Cc2ccccc2)c(S(=O)(=O)O)c(S(=O)(=O)O)c1C=Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
TRPA1 O75762 1/20 0.39
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
KCNH2 Q12809 1/20 0.37
TTR P02766 1/20 0.37
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
MAPT P10636 1/20 0.36
PTPN1 P18031 2/20 0.36
NFE2L2 Q16236 2/20 0.35
SUMO2 P61956 1/20 0.34
SUMO1 P63165 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP3 Q9H4L4 1/20 0.34
SENP2 Q9HC62 1/20 0.34
SENP1 Q9P0U3 1/20 0.34

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
SCHEMBL38677 0.88 MAOB (0.39) CYP19A1MAOAMAOBTRPA1HTR2A
SCHEMBL11656752 0.87 MAOB (0.38) CYP19A1MAOAMAOBTRPA1HTR2A
SCHEMBL27418632 0.85 CYP19A1 (0.39) CYP19A1MAOAMAOBTRPA1HTR2A
SCHEMBL28977388 0.84 CYP19A1 (0.38) CYP19A1MAOAMAOBTRPA1HTR2A
SCHEMBL27490192 0.84 CYP19A1 (0.38) CYP19A1MAOAMAOBTRPA1HTR2A
SCHEMBL1719173 0.81 TRPA1 (0.41) CYP19A1MAOAMAOBTRPA1HTR2A
SCHEMBL29413345 0.78 TRPA1 (0.44) CYP19A1MAOAMAOBTRPA1TTR
SCHEMBL4969730 0.78 TRPA1 (0.41) TRPA1HTR2AHTR2CKCNH2TTR
SCHEMBL722164 0.78 TRPA1 (0.44) CYP19A1MAOAMAOBTRPA1TTR
SCHEMBL8076471 0.77 TRPA1 (0.43) CYP19A1MAOAMAOBTRPA1HTR2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001092217-A3 PROCESS FOR THE PREPARATION OF AMIDOSTYRYLSTILBENE-DISULPHONIC ACID COMPOUNDS AND NOVEL AMIDOSTYRYLSTILBENE-DISULPHONIC ACID COMPOUNDS AND THEIR USE AS FLUORESCENT WHITENING AGENTS CIBA SC HOLDING AG (CH) 2002-05-16 WO disclosed
WO-2001092217-A2 PROCESS FOR THE PREPARATION OF AMIDOSTYRYLSTILBENE-DISULPHONIC ACID COMPOUNDS AND NOVEL AMIDOSTYRYLSTILBENE-DISULPHONIC ACID COMPOUNDS AND THEIR USE AS FLUORESCENT WHITENING AGENTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-12-06 WO disclosed
WO-2001092217-A2 PROCESS FOR THE PREPARATION OF AMIDOSTYRYLSTILBENE-DISULPHONIC ACID COMPOUNDS AND NOVEL AMIDOSTYRYLSTILBENE-DISULPHONIC ACID COMPOUNDS AND THEIR USE AS FLUORESCENT WHITENING AGENTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-12-06 WO disclosed