SCHEMBL3477772

SCHEMBL3477772

COc1ccc2c(c1)c(-c1nc(-c3ccc(O)c(C)c3O)nc(-c3ccc(O)c(C)c3O)n1)cn2C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
ESR2 Q92731 1/20 0.35
IDH1 O75874 1/20 0.33
PDE4B Q07343 2/20 0.32
PDE4D Q08499 2/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALPG P10696 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL3469137 0.79 ABCC2 (0.45) PDE4BPDE4DKDM4EHSD17B10
SCHEMBL3469903 0.79 PDE4B (0.39) NPC1PDE4BPDE4DAKR1C3AKR1C2
SCHEMBL3478248 0.78 CRHR1 (0.34) PDE4BPDE4DKDM4EHSD17B10
SCHEMBL30772115 0.69 ESR1 (0.44) NPC1ESR2MEN1KMT2AKDM4E
SCHEMBL30772116 0.69 ESR1 (0.44) NPC1ESR2MEN1KMT2AKDM4E
SCHEMBL3696821 0.69 ESR1 (0.44) NPC1ESR2MEN1KMT2AKDM4E
SCHEMBL3360889 0.68 MGLL (0.33) PDE4BPDE4DKDM4EALDH1A1POLB
SCHEMBL13030444 0.66 NPC1 (0.77) NPC1IDH1PDE4DMEN1KMT2A
SCHEMBL29992465 0.66 MAPT (0.45) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL3359285 0.66 MAPKAPK2 (0.46) NPC1MEN1KMT2AKDM4EALDH1A1

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