SCHEMBL8399187

SCHEMBL8399187

CCC(C)c1cccc(NC(=NC)Nc2cccc(C(C)CC)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ALDH1A1 P00352 5/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 2/20 0.39
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL4981820 0.81 HDAC4 (0.49) HDAC4HDAC2HDAC8MEN1KMT2A
SCHEMBL7877793 0.79 RAB9A (0.57) HDAC4HDAC2HDAC8MEN1KMT2A
SCHEMBL2098249 0.79 MEN1 (0.51) HDAC4HDAC2HDAC8MEN1KMT2A
SCHEMBL2098251 0.79 MEN1 (0.51) HDAC4HDAC2HDAC8MEN1KMT2A
Bromide SCHEMBL5452567 0.79 HDAC4 (0.47) HDAC4HDAC2HDAC8MEN1KMT2A
SCHEMBL21348786 0.78 POLB (0.59) HDAC4HDAC2HDAC8MEN1KMT2A
SCHEMBL2095673 0.77 ALDH1A1 (0.50) HDAC4HDAC2HDAC8MEN1KMT2A
SCHEMBL14986226 0.76 CA2 (0.58) HDAC4HDAC2HDAC8MEN1KMT2A
SCHEMBL2095672 0.76 MEN1 (0.48) HDAC4HDAC2HDAC8MEN1KMT2A
SCHEMBL4981831 0.76 SIGMAR1 (0.75) KMT2AGRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0918460-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-02 EP disclosed
WO-1998004131-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-05 WO disclosed
WO-1995020950-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1995-08-10 WO disclosed