SCHEMBL4482170

SCHEMBL4482170

COc1ccccc1-c1ccc2c(NC(=O)NCCc3ccccc3)n[nH]c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.62
HDAC1 Q13547 3/20 0.61
HDAC2 Q92769 3/20 0.61
HDAC8 Q9BY41 3/20 0.61
FGFR4 P22455 2/20 0.50
FGFR1 P11362 2/20 0.50
FGFR2 P21802 2/20 0.50
FGFR3 P22607 1/20 0.50
MAPK1 P28482 2/20 0.49
GSK3B P49841 5/20 0.48
ABL1 P00519 1/20 0.48
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL4484791 0.94 HDAC1 (0.62) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4503841 0.89 HDAC6 (0.65) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4491133 0.89 HDAC6 (0.64) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4488951 0.89 HDAC6 (0.64) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4490777 0.88 HDAC1 (0.65) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4489752 0.88 HDAC1 (0.65) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4499106 0.87 HDAC6 (0.58) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL12886209 0.87 HDAC6 (0.62) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4500248 0.87 HDAC1 (0.64) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4485507 0.87 GSK3B (0.58) HDAC6HDAC1HDAC2HDAC8FGFR4

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