SCHEMBL6239778

SCHEMBL6239778

COc1cc(CNCCc2ncc(C)s2)ccc1OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.65
NLRP3 Q96P20 1/20 0.61
LMNA P02545 3/20 0.59
KMT2A Q03164 3/20 0.59
KDM4E B2RXH2 2/20 0.59
HTT P42858 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
NPY1R P25929 1/20 0.59
NPY2R P49146 1/20 0.59
HTR1A P08908 1/20 0.58
HTR7 P34969 1/20 0.58
HTR6 P50406 1/20 0.58
ALDH1A1 P00352 1/20 0.58
SLC2A1 P11166 1/20 0.55
PLK1 P53350 1/20 0.54
MEN1 O00255 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
POLB P06746 1/20 0.52
NPC1 O15118 1/20 0.49
PKM P14618 1/20 0.49

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
SCHEMBL6230157 0.91 KMT2A (0.58) BCHENLRP3LMNAKMT2AKDM4E
SCHEMBL6235480 0.90 BCHE (0.53) BCHENLRP3LMNAKMT2AKDM4E
SCHEMBL6233816 0.89 SLC2A1 (0.51) BCHENLRP3LMNAKMT2AKDM4E
SCHEMBL6235980 0.88 SMN1; SMN2 (0.59) BCHENLRP3LMNAKMT2AKDM4E
SCHEMBL6233694 0.88 SMN1; SMN2 (0.53) BCHENLRP3LMNAKMT2AKDM4E
SCHEMBL6236888 0.86 SMN1; SMN2 (0.55) BCHENLRP3LMNAKMT2AKDM4E
SCHEMBL6236911 0.86 PLK1 (0.48) BCHENLRP3LMNAKMT2AKDM4E
SCHEMBL6233779 0.83 CD274 (0.49) BCHELMNAKMT2AKDM4EHTT
SCHEMBL6235952 0.83 PDCD1 (0.51) BCHENLRP3LMNAKMT2AKDM4E
SCHEMBL6240567 0.82 BCHE (0.64) BCHEKMT2AMEN1

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-2005000309-A2 CHEMICAL COMPOUNDS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-06 WO disclosed