SCHEMBL8329446

SCHEMBL8329446

CCc1cccc(N(C(=NC(C)C)Nc2cccc3c2CCC3)C(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
SIGMAR1 Q99720 2/20 0.38
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
CYP1A2 P05177 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
SCHEMBL6717417 0.85 LMNA (0.43) LMNAL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL8334409 0.81 SIGMAR1 (0.33) SIGMAR1
SCHEMBL9438469 0.80 SIGMAR1 (0.42) LMNAALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL9438424 0.80 SIGMAR1 (0.46) ALDH1A1MEN1KMT2ASIGMAR1SMN1; SMN2
SCHEMBL8329442 0.79 SIGMAR1 (0.39) LMNAMEN1KMT2ASIGMAR1TSHR
SCHEMBL7619847 0.78 SIGMAR1 (0.43) SIGMAR1SMN1; SMN2HPGDATMGRIN2D
SCHEMBL8334146 0.78 LMNA (0.43) LMNAL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL7616900 0.75 THRB (0.41) LMNAL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL6717069 0.75 LMNA (0.46) LMNAL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL6717422 0.74 SIGMAR1 (0.49) LMNAMEN1KMT2ASIGMAR1TSHR

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
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO claimed
EP-0918460-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-02 EP disclosed
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO disclosed
WO-1998004131-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-05 WO disclosed