SCHEMBL6233816

SCHEMBL6233816

Cc1cnc(CCNCc2ccc(OCc3ccccc3)c(C)c2)s1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.51
BCHE P06276 9/20 0.50
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HTT P42858 2/20 0.50
NPY1R P25929 1/20 0.50
NPY2R P49146 1/20 0.50
ALDH1A1 P00352 1/20 0.49
NLRP3 Q96P20 1/20 0.48
FFAR4 Q5NUL3 1/20 0.47
CD274 Q9NZQ7 3/20 0.46
HTR1A P08908 1/20 0.45
HTR7 P34969 1/20 0.45
HTR6 P50406 1/20 0.45
MEN1 O00255 2/20 0.44
GAA P10253 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
SCHEMBL6233694 0.89 SMN1; SMN2 (0.53) SLC2A1BCHELMNASMN1; SMN2KMT2A
SCHEMBL6239778 0.89 BCHE (0.65) SLC2A1BCHELMNASMN1; SMN2KMT2A
SCHEMBL6230157 0.89 KMT2A (0.58) SLC2A1BCHELMNASMN1; SMN2KMT2A
SCHEMBL6235952 0.85 PDCD1 (0.51) SLC2A1BCHELMNASMN1; SMN2KMT2A
SCHEMBL6240567 0.84 BCHE (0.64) BCHEKMT2AMEN1
SCHEMBL6235980 0.82 SMN1; SMN2 (0.59) BCHELMNASMN1; SMN2KMT2AKDM4E
SCHEMBL6235480 0.80 BCHE (0.53) BCHELMNASMN1; SMN2KMT2AKDM4E
SCHEMBL6233779 0.79 CD274 (0.49) BCHELMNASMN1; SMN2KMT2AKDM4E
SCHEMBL6230537 0.77 BCHE (0.52) BCHELMNASMN1; SMN2KMT2AKDM4E
SCHEMBL6236432 0.77 BCHE (0.46) BCHESMN1; SMN2KMT2AALDH1A1MEN1

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