SCHEMBL8864732

SCHEMBL8864732

CCN(CC)S(=O)(=O)c1ccc(C=CC(=O)OC)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.69
MEN1 O00255 8/20 0.61
KMT2A Q03164 8/20 0.61
ALDH1A1 P00352 6/20 0.61
ATM Q13315 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
LMNA P02545 7/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MAPT P10636 4/20 0.56
MAPK1 P28482 1/20 0.56
P4HB P07237 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
TYR P14679 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
NR2F2 P24468 1/20 0.54

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
SCHEMBL8554199 0.84 P4HB (0.59) POLBMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL8864727 0.84 P4HB (0.59) POLBMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL9081995 0.79 CA12 (0.64) ALDH1A1SMN1; SMN2MAPTCA12CA1
SCHEMBL9312488 0.79 CA2 (0.64) POLBKMT2AALDH1A1TDP1LMNA
SCHEMBL71224 0.78 CA12 (0.84) MEN1KMT2AALDH1A1ATMSMN1; SMN2
SCHEMBL5057418 0.78 CA12 (0.84) MEN1KMT2AALDH1A1ATMSMN1; SMN2
SCHEMBL28041658 0.77 CA2 (0.62) KMT2AALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL28435747 0.77 CA2 (0.62) POLBKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL28207122 0.77 CA2 (0.62) KMT2AALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL19122351 0.77 CA2 (0.62) POLBKMT2AALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5624922-A Aryl-fused and hetaryl-fused-2,4-diazepine and 2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1997-04-29 US disclosed