SCHEMBL4495070

SCHEMBL4495070

COc1ccc(-c2ccc3c(NC(=O)NCCN4CCOCC4)n[nH]c3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.53
MMP2 P08253 1/20 0.53
MMP8 P22894 1/20 0.53
MMP12 P39900 1/20 0.53
MMP13 P45452 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 2/20 0.50
POLB P06746 2/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
FGFR1 P11362 1/20 0.49
CHRNA3 P32297 1/20 0.49
CYP1A2 P05177 1/20 0.49
PDPK1 O15530 1/20 0.49
MAPT P10636 1/20 0.49
GAA P10253 2/20 0.48
BCL3 P20749 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
SCHEMBL4503708 0.92 FGFR1 (0.59) HDAC6HDAC1HDAC2HDAC8ALDH1A1
SCHEMBL4486921 0.91 HDAC6 (0.55) HDAC6HDAC1HDAC2HDAC8KDM4E
SCHEMBL4492127 0.90 GSK3B (0.53) ALDH1A1POLBLMNAKDR
SCHEMBL4505268 0.86 ABL1 (0.62) HDAC6HDAC1HDAC2HDAC8ALDH1A1
SCHEMBL4486019 0.86 WNT1 (0.51) ALDH1A1HSD17B10FGFR1KDR
SCHEMBL4476091 0.85 HDAC1 (0.52) HDAC6HDAC1HDAC2HDAC8FGFR1
SCHEMBL4495432 0.84 CHEK1 (0.57) MMP12HDAC1HDAC2HDAC8ALDH1A1
SCHEMBL4494664 0.83 AAK1 (0.59)
SCHEMBL4501959 0.83 FGFR1 (0.59) HDAC6HDAC1HDAC2HDAC8FGFR1
SCHEMBL4559844 0.83 HDAC6 (0.62) 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