SCHEMBL4487221

SCHEMBL4487221

COc1cccc(-c2ccc3c(NC(=O)NCCCn4ccnc4)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
MAPT P10636 1/20 0.56
LMNA P02545 1/20 0.55
RAB9A P51151 1/20 0.55
HDAC6 Q9UBN7 1/20 0.54
QPCT Q16769 2/20 0.52
NAMPT P43490 1/20 0.51
FGFR1 P11362 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
FGFR4 P22455 1/20 0.49
ALDH1A1 P00352 2/20 0.49
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 2/20 0.48
GAA P10253 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
SCHEMBL4502734 0.93 ALDH1A1 (0.55) HDAC1HDAC2HDAC8MAPTHDAC6
SCHEMBL4494610 0.89 KDM4E (0.52) MAPTLMNAQPCTNAMPTKMT2A
SCHEMBL4503182 0.87 AAK1 (0.55) MAPTLMNAQPCTNAMPTALDH1A1
SCHEMBL4481640 0.86 KDM4E (0.52) HDAC1HDAC2HDAC8MAPTLMNA
SCHEMBL4502522 0.86 HDAC1 (0.56) HDAC1HDAC2HDAC8MAPTHDAC6
SCHEMBL4493584 0.84 HDAC1 (0.66) HDAC1HDAC2HDAC8HDAC6FGFR1
SCHEMBL4480272 0.84 HDAC1 (0.66) HDAC1HDAC2HDAC8HDAC6FGFR1
SCHEMBL4485217 0.83 HDAC1 (0.65) HDAC1HDAC2HDAC8HDAC6FGFR1
SCHEMBL12886058 0.83 HDAC6 (0.56) HDAC1HDAC2HDAC8LMNAHDAC6
SCHEMBL4488444 0.82 GSK3B (0.55) HDAC1HDAC2HDAC8MAPTLMNA

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