Phenylmethanesulfonic Acid

Phenylmethanesulfonic Acid

SCHEMBL7148526

N=C(N)c1ccc(N)cc1.O=S(=O)(O)Cc1ccccc1.O=S(=O)(O)Cc1ccccc1

nearest known ligand 0.53

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.53
MASP2 O00187 1/20 0.53
THPO P40225 1/20 0.53
F2 P00734 6/20 0.52
PRSS1 P07477 5/20 0.52
PRSS3 P35030 5/20 0.52
APEX1 P27695 1/20 0.52
F10 P00742 2/20 0.46
F12 P00748 1/20 0.46
F7 P08709 1/20 0.46
F3 P13726 1/20 0.46
PKM P14618 1/20 0.46
PRSS2 P07478 4/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
WDR5 P61964 1/20 0.44
TMPRSS6 Q8IU80 2/20 0.44
BLM P54132 1/20 0.44
C1S P09871 2/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43

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
Phenylmethanesulfonic Acid SCHEMBL7148383 0.94 F2 (0.52) PLAUF2PRSS1PRSS3F10
SCHEMBL11547040 0.85 F10 (0.61) PLAUMASP2THPOF2PRSS1
Ammonia Solution, Strong SCHEMBL11392652 0.83 F10 (0.59) PLAUMASP2THPOF2PRSS1
Phenylmethanesulfonic Acid SCHEMBL9752378 0.83 CA1 (0.54) F2PRSS1PRSS3PRSS2LOXL2
Hydrochloric Acid SCHEMBL11396972 0.82 F10 (0.57) THPOF2PRSS1PRSS3APEX1
SCHEMBL8170318 0.78 TSHR (0.68) PLAUF2PRSS1PRSS3F10
SCHEMBL1335821 0.77 TSHR (0.50) LOXL2RECQLCA1CA2CA5A
Phenylmethanesulfonic Acid SCHEMBL1749 0.77 CA2 (0.58) F2PRSS1PRSS3PRSS2BLM
Phenylmethanesulfonic Acid SCHEMBL127384 0.77 CA2 (0.58) F2PRSS1PRSS3PRSS2BLM
Phenylmethanesulfonic Acid SCHEMBL30217949 0.77 CA2 (0.58) F2PRSS1PRSS3PRSS2BLM

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
EP-0921116-B1 N-(4-carbamimido-phenyl)-glycine amide derivatives HOFFMANN LA ROCHE (CH) 2003-06-18 EP disclosed
EP-0921116-A1 N-(4-carbamimido-phenyl)-glycine amide derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-06-09 EP disclosed