SCHEMBL3468917

SCHEMBL3468917

CCCc1c(O)ccc(-c2nc(-c3ccc(O)c(CCC)c3O)nc(-c3cccn3Cc3ccccc3)n2)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HSP90AA1 P07900 3/20 0.37
BRD4 O60885 2/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
CYP2D6 P10635 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSP90AB1 P08238 2/20 0.33
EGLN1 Q9GZT9 1/20 0.33
HSP90B1 P14625 1/20 0.33
LMNA P02545 1/20 0.33
AGTR1 P30556 1/20 0.32
AGTR2 P50052 1/20 0.32
BRD2 P25440 1/20 0.32

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
SCHEMBL3469011 0.84 HDAC8 (0.42) HDAC8HDAC6HSP90AA1MEN1POLB
SCHEMBL13283057 0.82 AGTR1 (0.31) CASRAGTR1AGTR2
SCHEMBL3209051 0.77 HDAC8 (0.44) HDAC8HDAC6HSP90AA1MEN1KMT2A
SCHEMBL3468902 0.70 ALDH1A1 (0.32) MEN1KMT2AKDM4ELMNAAGTR1
SCHEMBL3469018 0.70 KCNA3 (0.32) POLBKDM4EAGTR1AGTR2
SCHEMBL3226436 0.70 LMNA (0.35) HDAC8HDAC6MEN1POLBKMT2A
SCHEMBL14025412 0.70 ALDH1A1 (0.43) HDAC8HDAC6BRD4HTTKDM4E
SCHEMBL3468976 0.68 HDAC8 (0.42) HDAC8HDAC6BRD4HTTKDM4E
SCHEMBL2870986 0.68 BACE1 (0.42) HDAC8HDAC6KDM4ELMNA
SCHEMBL3469030 0.65 TYR (0.32) MEN1KMT2AHTTKDM4ETP53

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-2010081835-A2 BIS-RESORCINYL-TRIAZINE DERIVATIVES AS PROTECTING AGENTS AGAINST UV RADIATION ISDIN, S. A. (ES) 2010-07-22 WO disclosed