SCHEMBL8300580

SCHEMBL8300580

CCc1ccccc1NC(=N)N1Cc2cccc3cccc1c23

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
TAAR1 Q96RJ0 2/20 0.44
THRB P10828 1/20 0.41
KMT2A Q03164 4/20 0.39
MEN1 O00255 1/20 0.39
ATM Q13315 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
AR P10275 1/20 0.37
AKR1C3 P42330 1/20 0.37
CNR2 P34972 1/20 0.37
CHRM2 P08172 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
SCHEMBL8334448 0.84 SMN1; SMN2 (0.40) MAPTTAAR1KMT2AMEN1ATM
Hydrochloric Acid SCHEMBL6770312 0.84 KDM4E (0.45) MAPTTAAR1KMT2AMEN1GRIN2D
Hydrochloric Acid SCHEMBL8301740 0.83 SMN1; SMN2 (0.39) MAPTTAAR1KMT2AMEN1ATM
SCHEMBL6927639 0.81 TAS1R3 (0.44) TAAR1KMT2AMEN1SIGMAR1ALDH1A1
SCHEMBL6927733 0.81 GAA (0.46) MAPTKMT2AMEN1ALDH1A1GAA
Hydrochloric Acid SCHEMBL6765727 0.80 NPC1 (0.41) MAPTTHRBALDH1A1GAA
SCHEMBL6929369 0.78 ALDH1A1 (0.40) MAPTKMT2AMEN1ALDH1A1CYP2C19
SCHEMBL8305219 0.78 GAA (0.46) MAPTKMT2AMEN1GRIN2DGRIN3B
SCHEMBL8440692 0.78 MAPT (0.74) MAPTTAAR1THRBKMT2AMEN1
SCHEMBL8307416 0.77 POLB (0.44) MAPTTHRBKMT2AMEN1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0925300-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-30 EP claimed
EP-0925300-A4 1999-06-30 EP claimed
WO-1997030054-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-08-21 WO claimed
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO disclosed