SCHEMBL4487834

SCHEMBL4487834

COc1ccc(-c2ccc3c(NC(=O)N4CCN(C(=O)c5ccco5)CC4)n[nH]c3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
HIF1A Q16665 1/20 0.54
ALDH1A1 P00352 11/20 0.53
TSHR P16473 1/20 0.53
HDAC6 Q9UBN7 1/20 0.52
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
KMT2A Q03164 2/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPT P10636 3/20 0.49
TP53 P04637 2/20 0.49
MAPK1 P28482 2/20 0.49
FGFR4 P22455 1/20 0.49
USP2 O75604 1/20 0.49
LMNA P02545 1/20 0.49
ALOX15 P16050 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL4504547 0.93 HDAC1 (0.56) CYP1A2HIF1AALDH1A1HDAC6HDAC1
SCHEMBL12886130 0.84 HDAC6 (0.57) ALDH1A1HDAC6HDAC1HDAC2HDAC8
SCHEMBL4482513 0.84 HDAC6 (0.60) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4488599 0.84 HDAC6 (0.66) ALDH1A1HDAC6HDAC1HDAC2HDAC8
SCHEMBL4489355 0.84 HDAC6 (0.60) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4483361 0.84 HDAC6 (0.62) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4494882 0.83 HDAC6 (0.61) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4491320 0.81 HDAC6 (0.59) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4484349 0.81 HDAC6 (0.58) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4487348 0.81 HDAC6 (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