SCHEMBL4495009

SCHEMBL4495009

COc1ccc(C(C)C)cc1-c1ccc2c(NC(=O)C(C)Oc3ccccc3)n[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.51
HDAC1 Q13547 8/20 0.49
HDAC2 Q92769 8/20 0.49
HDAC8 Q9BY41 8/20 0.49
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
FGFR1 P11362 1/20 0.43
FGFR2 P21802 1/20 0.43
FGFR3 P22607 1/20 0.43
FGFR4 P22455 2/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
GSK3B P49841 1/20 0.43

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
SCHEMBL4489761 0.91 HDAC6 (0.53) HDAC6HDAC1HDAC2HDAC8TSHR
SCHEMBL4502109 0.90 HDAC6 (0.63) HDAC6HDAC1HDAC2HDAC8MEN1
SCHEMBL4503997 0.90 HDAC6 (0.63) HDAC6HDAC1HDAC2HDAC8MEN1
SCHEMBL4484061 0.88 HDAC6 (0.54) HDAC6HDAC1HDAC2HDAC8FGFR1
SCHEMBL4497946 0.87 GSK3B (0.53) HDAC6HDAC1HDAC2HDAC8FGFR1
SCHEMBL4499137 0.87 HDAC6 (0.55) HDAC6HDAC1HDAC2HDAC8FGFR1
SCHEMBL4498240 0.86 HDAC6 (0.55) HDAC6HDAC1HDAC2HDAC8TSHR
SCHEMBL4493069 0.85 HDAC6 (0.67) HDAC6HDAC1HDAC2HDAC8FGFR1
SCHEMBL4490284 0.85 HDAC6 (0.51) HDAC6HDAC1HDAC2HDAC8FGFR1
SCHEMBL4505011 0.83 HDAC6 (0.59) HDAC6HDAC1HDAC2HDAC8TSHR

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