SCHEMBL19254584

SCHEMBL19254584

CCOc1ccc(-c2nc(C(=O)NO)c3[nH]c(=O)n(-c4ccccc4)c3n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 9/20 0.63
HDAC4 P56524 9/20 0.63
HDAC1 Q13547 9/20 0.63
HDAC7 Q8WUI4 9/20 0.63
HDAC2 Q92769 9/20 0.63
HDAC10 Q969S8 9/20 0.63
HDAC11 Q96DB2 9/20 0.63
HDAC8 Q9BY41 9/20 0.63
HDAC6 Q9UBN7 9/20 0.63
HDAC9 Q9UKV0 9/20 0.63
HDAC5 Q9UQL6 9/20 0.63
KDM4E B2RXH2 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
RXFP1 Q9HBX9 2/20 0.58
USP2 O75604 2/20 0.58
TSHR P16473 2/20 0.58
HSD17B10 Q99714 2/20 0.58
LMNA P02545 1/20 0.58
CSNK2A1 P68400 8/20 0.57

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
SCHEMBL19254434 0.91 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19207634 0.86 HDAC3 (0.82) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19254423 0.82 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19254292 0.81 CSNK2A1 (0.67) KDM4EMEN1KMT2ARXFP1USP2
SCHEMBL19207476 0.81 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19254310 0.81 CSNK2A1 (0.72) KDM4EMEN1KMT2ARXFP1USP2
SCHEMBL19254303 0.81 CSNK2A1 (0.61) KDM4EMEN1KMT2ARXFP1USP2
SCHEMBL19207471 0.80 CSNK2A1 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19254316 0.80 CSNK2A1 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22400143 0.80 HSD17B10 (0.74) KDM4EMEN1KMT2ARXFP1USP2

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
WO-2017136689-A1 PURINE COMPOUNDS POSSESSING ANTICANCER ACTIVITY ACADEMIA SINICA (TW) 2017-08-10 WO disclosed