SCHEMBL9687450

SCHEMBL9687450

COc1ccccc1N1CCN(C(=O)c2[nH]c(=O)c(CC(C)C)[n+]([O-])c2OC)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.48
POLB P06746 3/20 0.45
PKM P14618 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 5/20 0.45
TSHR P16473 4/20 0.45
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45
LMNA P02545 4/20 0.44
HTT P42858 2/20 0.44
MAPT P10636 2/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL9687941 0.72 EZH2 (0.40) MEN1KMT2AHTTSMN1; SMN2NPC1
SCHEMBL14758395 0.67 ALDH1A1 (0.81) HPGDSPOLBMEN1KMT2AALDH1A1
SCHEMBL9653806 0.67 MEN1 (0.85) HPGDSPOLBPKMMEN1KMT2A
SCHEMBL18541844 0.67 ALDH1A1 (0.68) HPGDSPOLBPKMMEN1KMT2A
SCHEMBL16026545 0.67 PKM (0.74) HPGDSPOLBPKMMEN1KMT2A
SCHEMBL27829788 0.67 AKR1C3 (0.83) HPGDSPOLBPKMMEN1KMT2A
SCHEMBL3252759 0.66 PKM (0.78) PKMMEN1KMT2AALDH1A1TSHR
SCHEMBL9687454 0.66 MEN1 (0.39) MEN1KMT2AALDH1A1HTTMAPT
SCHEMBL7793932 0.65 AKR1C3 (0.68) HPGDSPOLBPKMMEN1KMT2A
SCHEMBL3904994 0.65 KMT2A (0.68) HPGDSPOLBPKMMEN1KMT2A

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
EP-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 EP disclosed