SCHEMBL9752559

SCHEMBL9752559

Cc1nnc(OS(C)(=O)=O)c2cc3ccccn3c12

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPK1 P28482 2/20 0.31
MAPT P10636 2/20 0.30
POLB P06746 1/20 0.30
KDM4E B2RXH2 2/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL9752488 0.74 MAPT (0.37) HTTATML3MBTL1MAPK1MAPT
SCHEMBL9872195 0.67 SMN1; SMN2 (0.42) HTTL3MBTL1MAPK1MAPTPOLB
SCHEMBL8579452 0.66 ATM (0.39) ATMPOLBKDM4ERAB9ASMN1; SMN2
SCHEMBL9752708 0.66 PDE4B (0.44) RAB9A
Hydrochloric Acid SCHEMBL9752508 0.65 PDE4B (0.43) RAB9A
SCHEMBL9752596 0.64 PDE4B (0.39) L3MBTL1POLBRAB9A
SCHEMBL9879251 0.64 PDE4B (0.42) L3MBTL1POLBRAB9A
SCHEMBL9752552 0.63 ALDH1A1 (0.37) HTTATML3MBTL1MAPK1MAPT
SCHEMBL9870800 0.63 PDE4B (0.45) MAPK1KDM4EALDH1A1
SCHEMBL9752624 0.63 PDE4B (0.45) KDM4E

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
WO-1991010664-A1 PYRIDAZINO[4,5-b]INDOLIZINES AMERICAN HOME PRODUCTS CORPORATION (US) 1991-07-25 WO disclosed