Phenylmethylsulfonylfluoride

Phenylmethylsulfonylfluoride

SCHEMBL3497005

N=C(N)c1ccccc1.O=S(=O)(F)Cc1ccccc1

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 7/20 0.66
PRSS2 P07478 7/20 0.66
PRSS3 P35030 7/20 0.66
FAAH O00519 1/20 0.66
ELANE P08246 1/20 0.66
PRTN3 P24158 1/20 0.66
F2 P00734 3/20 0.55
F10 P00742 2/20 0.55
F12 P00748 1/20 0.55
F7 P08709 1/20 0.55
F3 P13726 1/20 0.55
PKM P14618 1/20 0.55
BLM P54132 1/20 0.53
C1S P09871 3/20 0.52
RECQL P46063 1/20 0.52
KMT2A Q03164 1/20 0.52
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA5A P35218 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL537872 0.87 PRSS1 (0.53) PRSS1PRSS2PRSS3FAAHELANE
Fluoride SCHEMBL8499766 0.86 PRSS1 (0.52) PRSS1PRSS2PRSS3FAAHELANE
Hydrochloric Acid SCHEMBL1071756 0.86 PRSS1 (0.52) PRSS1PRSS2PRSS3FAAHELANE
SCHEMBL11398465 0.85 PRSS1 (0.59) PRSS1PRSS2PRSS3FAAHELANE
Hydrochloric Acid SCHEMBL3295507 0.83 PRSS1 (0.57) PRSS1PRSS2PRSS3FAAHELANE
Benzamidine SCHEMBL11393583 0.81 F2 (0.70) PRSS1PRSS2PRSS3F2F10
Phenylmethylsulfonylfluoride SCHEMBL3965163 0.81 PRSS1 (1.00) PRSS1PRSS2PRSS3FAAHELANE
Phenylmethylsulfonylfluoride SCHEMBL24938 0.81 PRSS1 (1.00) PRSS1PRSS2PRSS3FAAHELANE
Phenylmethanesulfonic Acid SCHEMBL7148383 0.81 F2 (0.52) PRSS1PRSS2PRSS3F2F10
Phenylmethylsulfonylfluoride SCHEMBL28507854 0.79 PRSS1 (0.86) PRSS1PRSS2PRSS3FAAHELANE

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-8399631-B2 Compositions and methods for purifying calreticulin CALRETEX LLC (US) 2013-03-19 US disclosed
US-20100145016-A1 COMPOSITIONS AND METHODS FOR PURIFYING CALRETICULIN CALRETEX, LLC (US) 2010-06-10 US disclosed