SCHEMBL9843392

SCHEMBL9843392

CS(=O)(=O)c1sccc1Br

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
PTGS2 P35354 7/20 0.33
IDO1 P14902 1/20 0.30
TDO2 P48775 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
EDNRB P24530 2/20 0.30
EDNRA P25101 2/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL1927671 0.86 CA2 (0.41) POLBPTGS2CA12CA1CA2
SCHEMBL1927038 0.77 ALDH1A1 (0.31) POLBCA12CA1CA2CA7
SCHEMBL1927669 0.77 POLB (0.31) POLBCA12CA1CA2CA7
SCHEMBL3059991 0.77 POLB (0.34) POLBIDO1TDO2CA12CA1
Hydrochloric Acid SCHEMBL28079593 0.76 POLB (0.33) POLBCA12CA1CA2CA7
Pivalate SCHEMBL15953987 0.75 LMNA (0.40) POLBPTGS2IDO1TDO2CA12
SCHEMBL19436422 0.74 LMNA (0.37) PTGS2CES1
SCHEMBL23569219 0.74 CA2 (0.35) PTGS2CA12CA1CA2CA7
SCHEMBL8229612 0.74 CA1 (0.45) POLBCA12CA1CA2CA7
SCHEMBL7335685 0.72 POLB (0.32) POLBCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011109441-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2011-09-09 WO disclosed
EP-0435794-A1 Alkenyl- or heteroaryl thio, sulfone, sulfoxy herbicides RHONE-POULENC AGROCHIMIE (FR) 1991-07-03 EP disclosed
US-4639265-A PRE- AND POSTEMERGENCE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-01-27 US disclosed
EP-0064804-B1 THIOPHENE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-07-02 EP disclosed
US-4547217-A ESPECIALLY FOR CORN E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-10-15 US disclosed
US-4441910-A PRE- AND POST-EMERGENCE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-04-10 US disclosed
EP-0064804-A2 Thiophene herbicides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-11-17 EP disclosed