SCHEMBL4504547

SCHEMBL4504547

COc1cccc(-c2ccc3c(NC(=O)N4CCN(C(=O)c5ccco5)CC4)n[nH]c3c2)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.56
HDAC2 Q92769 5/20 0.56
HDAC8 Q9BY41 5/20 0.56
HDAC6 Q9UBN7 1/20 0.55
FGFR1 P11362 1/20 0.53
FGFR4 P22455 1/20 0.50
SLC2A1 P11166 1/20 0.49
ABCB1 P08183 1/20 0.49
ALDH1A1 P00352 3/20 0.49
PKM P14618 2/20 0.49
CDK2 P24941 1/20 0.49
GSK3A P49840 1/20 0.49
NPC1 O15118 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP1A2 P05177 1/20 0.48
HIF1A Q16665 1/20 0.48

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
SCHEMBL4487834 0.93 CYP1A2 (0.54) HDAC1HDAC2HDAC8HDAC6FGFR4
SCHEMBL4491832 0.86 HDAC1 (0.63) HDAC1HDAC2HDAC8HDAC6FGFR1
SCHEMBL4496861 0.86 HDAC1 (0.63) HDAC1HDAC2HDAC8HDAC6FGFR1
SCHEMBL4502572 0.86 HDAC1 (0.65) HDAC1HDAC2HDAC8HDAC6FGFR1
SCHEMBL4494927 0.85 HDAC6 (0.69) HDAC1HDAC2HDAC8HDAC6FGFR1
SCHEMBL4506085 0.85 HDAC1 (0.64) HDAC1HDAC2HDAC8HDAC6FGFR1
SCHEMBL4490316 0.84 HDAC1 (0.63) HDAC1HDAC2HDAC8HDAC6FGFR1
SCHEMBL4489163 0.83 HDAC1 (0.62) HDAC1HDAC2HDAC8HDAC6FGFR1
SCHEMBL12886130 0.83 HDAC6 (0.57) HDAC1HDAC2HDAC8HDAC6FGFR1
SCHEMBL4476288 0.82 HDAC1 (0.66) HDAC1HDAC2HDAC8HDAC6FGFR1

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