SCHEMBL9486871

SCHEMBL9486871

CCCCc1c(C(=O)c2ccc(OC)cc2)n(C)c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
CNR1 P21554 1/20 0.47
ACHE P22303 1/20 0.47
CNR2 P34972 1/20 0.47
MAPK1 P28482 3/20 0.47
HTT P42858 3/20 0.47
GAA P10253 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PLA2G4A P47712 1/20 0.45
TP53 P04637 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PKM P14618 1/20 0.43
PAX8 Q06710 1/20 0.43
F2 P00734 1/20 0.42
PLAU P00749 1/20 0.42

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
SCHEMBL9486757 0.89 MAPT (0.53) MAPTCNR1ACHECNR2HTT
SCHEMBL9485957 0.85 OXER1 (0.51) MAPTCNR1ACHECNR2MAPK1
SCHEMBL9487366 0.83 PLA2G4A (0.47) MAPTPLA2G4A
SCHEMBL9485442 0.77 CTSV (0.49) MAPTCNR2MAPK1HTTGAA
SCHEMBL9485983 0.74 OXER1 (0.50) MAPTCNR1ACHECNR2MAPK1
SCHEMBL9486675 0.74 KCNH2 (0.52) MAPTCNR2MAPK1HTTGAA
SCHEMBL283212 0.74 MAPK1 (0.60) MAPK1HTTGAANPSR1TDP1
SCHEMBL9486236 0.73 OXER1 (0.53) MAPTHTTGAANPSR1ALDH1A1
SCHEMBL9485938 0.73 MAPK1 (0.60) MAPTCNR2MAPK1HTTGAA
SCHEMBL9486713 0.72 OXER1 (0.46) PLA2G4ATP53

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-5223510-A ALKYLAMINOALKYL DERIVATIVES OF BENZOFURAN, BENZOTHIOPHENE, INDOLE AND INDOLIZINE, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM SANOFI (FR) 1993-06-29 US disclosed