SCHEMBL17675656

SCHEMBL17675656

Nc1c(Cl)nc2ccccc2c1NCCCCNC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.52
BCHE P06276 2/20 0.52
POLB P06746 2/20 0.48
RAD52 P43351 2/20 0.48
TOP2A P11388 2/20 0.47
KDM4E B2RXH2 1/20 0.43
MITF O75030 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TTR P02766 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL21632108 0.92 BCHE (0.47) ACHEBCHEPOLBRAD52TOP2A
SCHEMBL841682 0.84 MEN1 (0.49) ACHEBCHEGAARAB9A
SCHEMBL22181050 0.84 ACHE (0.55) ACHEBCHEPOLBRAD52RAB9A
SCHEMBL202694 0.84 POLB (0.68) ACHEBCHEPOLBRAD52TOP2A
SCHEMBL211489 0.82 POLB (0.51) ACHEBCHEPOLBRAD52KDM4E
SCHEMBL8135949 0.82 HTT (0.49) TOP2ALMNA
SCHEMBL8132565 0.82 MEN1 (0.49) ACHEBCHEGAARAB9A
SCHEMBL6719555 0.82 KDM4E (0.57) POLBRAD52TOP2AKDM4EMITF
SCHEMBL17675518 0.81 BCHE (0.48) ACHEBCHEPOLBRAD52TOP2A
SCHEMBL17675516 0.81 BCHE (0.48) ACHEBCHEPOLBRAD52TOP2A

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
EP-3215189-A1 POLYMER ADJUVANT Oxford University Innovation Limited (GB) 2017-09-13 EP disclosed
WO-2016055812-A1 POLYMER ADJUVANT ISIS INNOVATION LIMITED (GB) 2016-04-14 WO disclosed