SCHEMBL8049609

SCHEMBL8049609

CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.85

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.85
MAPK1 P28482 1/20 0.81
L3MBTL1 Q9Y468 3/20 0.70
ATM Q13315 1/20 0.70
VCAM1 P19320 1/20 0.68
HTT P42858 3/20 0.64
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
LMNA P02545 1/20 0.62
POLB P06746 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
USP2 O75604 1/20 0.58
TSHR P16473 2/20 0.57
KDM4E B2RXH2 1/20 0.57

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
SCHEMBL1460166 0.87 L3MBTL1 (0.67) RAB9AMAPK1L3MBTL1ATMVCAM1
SCHEMBL494192 0.84 KDM4E (0.74) RAB9AMAPK1L3MBTL1VCAM1MEN1
SCHEMBL493045 0.82 POLB (0.72) RAB9AMAPK1L3MBTL1VCAM1MEN1
SCHEMBL396705 0.82 KMT2A (0.77) RAB9AMAPK1L3MBTL1ATMVCAM1
SCHEMBL992819 0.82 VCAM1 (1.00) RAB9AMAPK1L3MBTL1ATMVCAM1
SCHEMBL18711451 0.81 KMT2A (0.77) RAB9AMAPK1L3MBTL1MEN1KMT2A
SCHEMBL395198 0.81 KMT2A (0.75) RAB9AMAPK1L3MBTL1ATMVCAM1
Lithium Ion SCHEMBL395197 0.81 L3MBTL1 (0.63) RAB9AMAPK1L3MBTL1ATMVCAM1
SCHEMBL16256954 0.81 RAB9A (0.59) RAB9AMAPK1L3MBTL1VCAM1
SCHEMBL13489662 0.79 MAPT (0.70) RAB9AMAPK1L3MBTL1POLBUSP2

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
JP-2000226377-A SUBSTITUTED BENZENEDITHIOL METAL COMPLEX AND ITS PRODUCTION SUMITOMO SEIKA CHEM CO LTD 2000-08-15 JP disclosed