SCHEMBL4494137

SCHEMBL4494137

COc1ccc(C(C)C)cc1-c1ccc2c(NC(=O)Cc3cccs3)n[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.51
HDAC2 Q92769 7/20 0.51
HDAC8 Q9BY41 7/20 0.51
HDAC6 Q9UBN7 4/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
GSK3B P49841 3/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
USP2 O75604 1/20 0.43
CYP1A2 P05177 1/20 0.42
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR4 P22455 1/20 0.42
FGFR3 P22607 1/20 0.42

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
SCHEMBL4493015 0.89 MEN1 (0.57) HDAC1HDAC2HDAC8HDAC6MEN1
SCHEMBL4482298 0.88 HDAC6 (0.62) HDAC1HDAC2HDAC8HDAC6MEN1
SCHEMBL4488079 0.85 HDAC1 (0.56) HDAC1HDAC2HDAC8HDAC6MAPK1
SCHEMBL4488476 0.83 HDAC1 (0.53) HDAC1HDAC2HDAC8HDAC6MAPT
SCHEMBL4494626 0.83 HDAC1 (0.54) HDAC1HDAC2HDAC8HDAC6GSK3B
SCHEMBL4491831 0.82 HDAC1 (0.62) HDAC1HDAC2HDAC8GSK3BCYP1A2
SCHEMBL4494443 0.81 HDAC1 (0.59) HDAC1HDAC2HDAC8HDAC6GSK3B
SCHEMBL4499137 0.81 HDAC6 (0.55) HDAC1HDAC2HDAC8HDAC6GSK3B
SCHEMBL4493069 0.80 HDAC6 (0.67) HDAC1HDAC2HDAC8HDAC6FGFR1
SCHEMBL4484894 0.80 GSK3B (0.53) MEN1KMT2APOLBMAPTGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7632854-B2 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2009-12-15 US claimed