SCHEMBL8837620

SCHEMBL8837620

C#Cc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.65
CA9 Q16790 1/20 0.65
TSHR P16473 1/20 0.54
NR1H3 Q13133 1/20 0.52
MAPT P10636 4/20 0.51
MCOLN3 Q8TDD5 2/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
HTT P42858 2/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PGR P06401 2/20 0.50
LIMK2 P53671 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ATM Q13315 1/20 0.49
FFAR1 O14842 1/20 0.49
NR1I2 O75469 1/20 0.49
POLB P06746 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALOX12 P18054 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
SCHEMBL812702 0.82 CA12 (0.78) CA12CA9TSHRNR1H3MAPT
SCHEMBL6794824 0.79 CA12 (0.73) CA12CA9TSHRNR1H3MAPT
SCHEMBL3822617 0.79 CA12 (1.00) CA12CA9TSHRNR1H3MAPT
SCHEMBL18946200 0.78 CA12 (0.55) CA12CA9TSHRMAPTKMT2A
SCHEMBL7822429 0.77 CA12 (0.71) CA12CA9TSHRNR1H3MAPT
SCHEMBL7811989 0.77 CA12 (0.71) CA12CA9TSHRNR1H3MAPT
SCHEMBL2518894 0.77 CA12 (0.71) CA12CA9TSHRNR1H3MAPT
SCHEMBL11174158 0.77 CA12 (0.71) CA12CA9TSHRNR1H3MAPT
SCHEMBL14469933 0.77 FFAR1 (0.74) CA12CA9TSHRNR1H3MAPT
SCHEMBL11181741 0.77 PGR (0.74) CA12CA9TSHRNR1H3MAPT

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-5693639-A TREATING URINARY INCONTINENCE ZENECA LIMITED (GB) 1997-12-02 US disclosed
US-5510386-A ADMINISTERING TO RELAX SMOOTH MUSCLE OF THE BLADDER ZENECA LIMITED (GB) 1996-04-23 US disclosed