SCHEMBL8801979

SCHEMBL8801979

CCC(C)c1cccc(N(C(N)=NC)c2cccc(C(C)CC)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP2C9 P11712 1/20 0.34
SIGMAR1 Q99720 6/20 0.34
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33

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
SCHEMBL8802526 0.82 HDAC4 (0.46) HDAC4HDAC2HDAC8USP2ALDH1A1
SCHEMBL12786103 0.76 HDAC4 (0.53) HDAC4HDAC2HDAC8USP2ALDH1A1
SCHEMBL4983834 0.75 SIGMAR1 (0.60) SIGMAR1
SCHEMBL13878120 0.74 HDAC4 (0.50) HDAC4HDAC2HDAC8USP2ALDH1A1
SCHEMBL8399182 0.73 HDAC4 (0.44) HDAC4HDAC2HDAC8USP2ALDH1A1
SCHEMBL12299163 0.73 HDAC4 (0.49) HDAC4HDAC2HDAC8USP2ALDH1A1
SCHEMBL24687854 0.71 HDAC4 (0.47) HDAC4HDAC2HDAC8USP2ALDH1A1
SCHEMBL1006801 0.71 HDAC4 (0.62) HDAC4HDAC2HDAC8USP2ALDH1A1
SCHEMBL11317482 0.70 HDAC4 (0.50) HDAC4HDAC2HDAC8USP2ALDH1A1
SCHEMBL12299148 0.69 HDAC4 (0.45) HDAC4HDAC2HDAC8USP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0751767-A4 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE INC (US) 1997-12-10 EP disclosed
EP-0751767-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-01-08 EP disclosed