SCHEMBL6350844

SCHEMBL6350844

CCN1CCN(c2nc(-c3ccc(-c4ccccc4S(=O)(=O)CCCO)cc3)cc3ccccc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
HTR6 P50406 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
PKN2 Q16513 1/20 0.38
SYK P43405 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GBA1 P04062 1/20 0.36
CYP2D6 P10635 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL4772642 0.90 SYK (0.46) KMT2AMEN1SMN1; SMN2LMNAMAPT
Hydrochloric Acid SCHEMBL4763304 0.89 SYK (0.45) KMT2AMEN1SMN1; SMN2LMNAMAPT
SCHEMBL6350848 0.89 SYK (0.45) KMT2AMEN1SMN1; SMN2LMNAMAPT
SCHEMBL6350846 0.87 SYK (0.41) KMT2AMEN1SMN1; SMN2LMNAMAPT
SCHEMBL4770281 0.81 SMN1; SMN2 (0.43) KMT2AMEN1SMN1; SMN2LMNAMAPT
SCHEMBL4775455 0.80 GBA1 (0.42) KMT2AMEN1SMN1; SMN2LMNAMAPT
SCHEMBL4763994 0.80 GBA1 (0.46) KMT2AMEN1SMN1; SMN2LMNAMAPT
SCHEMBL4773670 0.80 GBA1 (0.44) KMT2AMEN1SMN1; SMN2LMNAMAPT
Hydrochloric Acid SCHEMBL7675923 0.80 SMN1; SMN2 (0.42) KMT2AMEN1SMN1; SMN2LMNAMAPT
Hydrochloric Acid SCHEMBL4769400 0.80 SMN1; SMN2 (0.42) KMT2AMEN1SMN1; SMN2LMNAMAPT

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-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed