SCHEMBL8524737

SCHEMBL8524737

N=C(Nc1cc(C=S=O)ccc1Cl)N1CCCc2cc(C(F)(F)F)ccc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 5/20 0.41
NOTUM Q6P988 1/20 0.40
LMNA P02545 5/20 0.39
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
NR3C1 P04150 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL8522982 0.89 ALDH1A1 (0.41) MAPTTP53ALDH1A1NOTUMLMNA
SCHEMBL8332662 0.83 MAPT (0.42) MAPTTP53ALDH1A1NOTUMLMNA
SCHEMBL8337181 0.81 ALDH1A1 (0.40) MAPTTP53ALDH1A1LMNAPOLB
SCHEMBL8332799 0.76 ALDH1A1 (0.40) MAPTTP53ALDH1A1LMNAPOLB
Hydrochloric Acid SCHEMBL6769802 0.73 ALDH1A1 (0.41) MAPTTP53ALDH1A1LMNAPOLB
SCHEMBL8332741 0.72 SIGMAR1 (0.47) MAPTNOTUMLMNAMEN1KMT2A
SCHEMBL7743748 0.72 ALDH1A1 (0.39) MAPTTP53ALDH1A1LMNAPOLB
SCHEMBL8300934 0.72 NOTUM (0.41) MAPTTP53NOTUMLMNAHTR2A
SCHEMBL7552151 0.68 NOTUM (0.63) NOTUMLMNAHTR2AHTR2CMEN1
SCHEMBL24011079 0.67 NOTUM (0.84) MAPTTP53ALDH1A1NOTUMLMNA

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-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO disclosed