SCHEMBL11440887

SCHEMBL11440887

COc1ccc(S(N)(=O)=O)cc1S(=O)(=O)Cl

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
PTGS2 P35354 9/20 0.50
PTGS1 P23219 8/20 0.50
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
CA12 O43570 1/20 0.49
TRPV4 Q9HBA0 1/20 0.49
GAA P10253 2/20 0.48
PKM P14618 1/20 0.47
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 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
SCHEMBL11497305 0.87 PKM (0.60) SMN1; SMN2PTGS2PTGS1CA1CA2
SCHEMBL5012595 0.87 SMN1; SMN2 (0.59) SMN1; SMN2CA1CA2TRPV4GAA
SCHEMBL31650159 0.84 SMN1; SMN2 (0.77) SMN1; SMN2PTGS2PTGS1TRPV4POLB
SCHEMBL4188145 0.84 SMN1; SMN2 (0.77) SMN1; SMN2PTGS2PTGS1TRPV4POLB
SCHEMBL10800863 0.83 SMN1; SMN2 (0.54) SMN1; SMN2PTGS2TRPV4POLBTSHR
SCHEMBL4192386 0.80 SMN1; SMN2 (0.51) SMN1; SMN2TRPV4POLBTSHRMAPK1
SCHEMBL2007287 0.80 POLB (0.70) SMN1; SMN2PTGS2PTGS1CA1CA2
SCHEMBL4618678 0.79 HTR6 (0.58) SMN1; SMN2CA9CA12TRPV4GAA
SCHEMBL18969789 0.79 TSHR (0.54) SMN1; SMN2TRPV4GAAPKMPOLB
SCHEMBL4192390 0.79 SMN1; SMN2 (0.50) SMN1; SMN2TRPV4POLBTSHRMAPK1

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-4211776-A ANTIEMETICS CHOAY S.A. (FR) 1980-07-08 US disclosed
US-4132786-A ANTIEMETICS, ANTICONVULSANTS, ANESTHETICS, ANTIBIOTICS MOREAU ROBERT C 1979-01-02 US disclosed