SCHEMBL4529101

SCHEMBL4529101

CC1(C)CC2=C(C(O)C1)C(C)(c1ccc(C(N)=O)c(NCc3cccnc3)c1)C=N2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CDC7 O00311 2/20 0.42
ROCK2 O75116 2/20 0.42
MAP4K4 O95819 2/20 0.42
GSK3B P49841 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
MKNK2 Q9HBH9 2/20 0.42
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
CDK2 P24941 5/20 0.41
RPS6KB1 P23443 2/20 0.41
PIM1 P11309 1/20 0.41
AKT1 P31749 1/20 0.41
MKNK1 Q9BUB5 1/20 0.39
CCNE1 P24864 3/20 0.36
AURKA O14965 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
SCHEMBL4536660 0.79 KDM4E (0.44) KDM4EALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL1218738 0.74 HSP90AA1 (0.46) KDM4EALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL4524813 0.73 CDC7 (0.45) GAACDC7ROCK2MAP4K4GSK3B
SCHEMBL17786129 0.67 HSP90AA1 (0.43) KDM4EALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL13673761 0.66 HSP90AA1 (0.43) KDM4EALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL1221076 0.65 HSP90AB1 (0.65) KDM4EALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL3823671 0.65 HSP90AB1 (0.60)
SCHEMBL3714861 0.64 MAPT (0.64) KDM4EALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL913752 0.63 CDK5 (0.62) KDM4EALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL12321913 0.62 JAK3 (0.61) KDM4EALDH1A1GAAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4377942-B2 2009-12-02 JP claimed
JP-2008531599-A 2008-08-14 JP claimed
EP-1856057-A1 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES Serenex, Inc. (US) 2007-11-21 EP claimed
WO-2006091963-A1 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2006-08-31 WO claimed
EP-1856057-A1 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES Serenex, Inc. (US) 2007-11-21 EP disclosed
WO-2006091963-A1 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2006-08-31 WO disclosed