SCHEMBL11518834

SCHEMBL11518834

O=C(CCl)Nc1ccc(S(=O)(=O)O)cc1.[KH]

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.74
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
MITF O75030 3/20 0.56
NOD2 Q9HC29 2/20 0.56
XBP1 P17861 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ALDH1A1 P00352 5/20 0.54
HTT P42858 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 4/20 0.51
MAPT P10636 3/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
ATM Q13315 1/20 0.50
KDM4E B2RXH2 1/20 0.50
RNF4 P78317 1/20 0.50
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
TIMP3 P35625 1/20 0.47

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
SCHEMBL14155782 0.98 PRMT1 (0.77) PRMT1NPC1RAB9AMITFNOD2
SCHEMBL22931130 0.93 PRMT1 (0.70) PRMT1NPC1RAB9AMITFNOD2
SCHEMBL10996832 0.85 PRMT1 (1.00) PRMT1NPC1RAB9AMITFNOD2
SCHEMBL8047403 0.84 PRMT1 (0.77) PRMT1NPC1RAB9AMITFNOD2
SCHEMBL10574745 0.83 PRMT1 (0.61) PRMT1NPC1RAB9AMITFNOD2
SCHEMBL9081388 0.82 NPC1 (0.76) PRMT1NPC1RAB9AMITFNOD2
SCHEMBL11518539 0.82 CA1 (0.53) PRMT1MAPTKMT2AMEN1ATM
Potassium Ion SCHEMBL11518837 0.82 PRMT1 (0.74) PRMT1NPC1RAB9AMITFNOD2
SCHEMBL7289377 0.82 PRMT1 (0.74) PRMT1NPC1RAB9AMITFNOD2
SCHEMBL7440868 0.82 PRMT1 (0.74) PRMT1MAPTKMT2AMEN1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4178301-A 4-(2-(ACETYLTHIO)ACETAMIDO)BENZOIC ACID AS MUCOLYTIC AGENT MEAD JOHNSON & COMPANY (US) 1979-12-11 US disclosed
US-4132802-A LIQUEFACTION OF MUCUS MEAD JOHNSON & COMPANY (US) 1979-01-02 US disclosed
US-4096277-A Mucolytic mercaptoacylamidobenzamides and process of using same MEAD JOHNSON & COMPANY (US) 1978-06-20 US disclosed
US-4005222-A Mucolytic mercaptoacylamidobenzoic and benzenesulfonic acid compounds and process MEAD JOHNSON & COMPANY (US) 1977-01-25 US disclosed