SCHEMBL27972004

SCHEMBL27972004

COc1cc(C(=O)O)c(Nc2ccccc2)c(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.58
CTSL P07711 1/20 0.58
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 3/20 0.51
HSD17B10 Q99714 2/20 0.51
HPGD P15428 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RCE1 Q9Y256 1/20 0.51
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
POLB P06746 3/20 0.48
USP2 O75604 1/20 0.48
PKM P14618 1/20 0.48
RAD52 P43351 1/20 0.46
HDAC3 O15379 1/20 0.46
APP P05067 1/20 0.46
ACHE P22303 1/20 0.46
HDAC4 P56524 1/20 0.46

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
SCHEMBL28813025 0.88 MEN1 (0.58) CTSVCTSLMEN1KMT2AKDM4E
SCHEMBL27971948 0.85 CTSV (0.51) CTSVCTSLMEN1KMT2AKDM4E
SCHEMBL8834058 0.78 AKR1C3 (0.56) CTSVCTSLMEN1KMT2AKDM4E
SCHEMBL1438926 0.77 PKM (0.62) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL11541393 0.77 HTT (0.54) KMT2AKDM4EHSD17B10HPGDAKR1C3
SCHEMBL20745310 0.77 KDM4E (0.71) CTSVCTSLMEN1KMT2AKDM4E
SCHEMBL4336350 0.77 KDM4E (0.59) CTSVCTSLMEN1KMT2AKDM4E
SCHEMBL26106266 0.74 MEN1 (0.57) CTSVCTSLMEN1KMT2AKDM4E
SCHEMBL19260548 0.73 AKR1C3 (0.61) CTSVCTSLMEN1KMT2AKDM4E
SCHEMBL16784742 0.73 MEN1 (0.56) MEN1KMT2AKDM4EALDH1A1HSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103923007-B Acridine compound and application thereof 大连理工大学 2016-07-06 CN disclosed
CN-103923007-A Acridine compound and application thereof UNIV DALIAN TECH 2014-07-16 CN disclosed