SCHEMBL4199482

SCHEMBL4199482

Cc1ccsc1-c1ncnc2ccc(C=O)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 3/20 0.39
RIPK3 Q9Y572 1/20 0.39
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
PTK2B Q14289 1/20 0.36
CYP2A6 P11509 7/20 0.35
CYP3A4 P08684 1/20 0.32
CYP2B6 P20813 1/20 0.32
CYP2C19 P33261 1/20 0.32
CLK1 P49759 3/20 0.32
CLK2 P49760 2/20 0.32
DYRK1A Q13627 2/20 0.32

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
SCHEMBL4188165 0.80 CISD1 (0.50) NPC1HPGDRAB9ACLK1CLK2
SCHEMBL13951090 0.80 CISD1 (0.50) NPC1HPGDRAB9ACLK1CLK2
SCHEMBL4188161 0.80 CISD1 (0.50) NPC1HPGDRAB9ACLK1CLK2
SCHEMBL4198809 0.79 CYP2A6 (0.39) RIPK2RIPK3MEN1KMT2AKDM4E
SCHEMBL4185899 0.79 RIPK2 (0.38) RIPK2RIPK3MEN1KMT2AKDM4E
SCHEMBL4201167 0.76 ERN1 (0.40) RIPK2RIPK3MEN1KMT2AKDM4E
SCHEMBL26315417 0.74 ALDH1A1 (0.48) MEN1KMT2AKDM4ENPC1ALDH1A1
SCHEMBL4194980 0.73 ERN1 (0.38) MEN1KMT2AKDM4ENPC1ALDH1A1
SCHEMBL2882073 0.72 ADORA2A (0.57) MEN1KMT2AKDM4ENPC1ALDH1A1
SCHEMBL2880423 0.70 ALDH1A1 (0.43) MEN1KMT2AKDM4ENPC1ALDH1A1

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
WO-2009026346-A1 THIAZOLIDINE COMPOUNDS, AND METHODS OF MAKING AND USING SAME TARGEGEN INC. (US) 2009-02-26 WO disclosed
WO-2009026346-A1 THIAZOLIDINE COMPOUNDS, AND METHODS OF MAKING AND USING SAME TARGEGEN INC. (US) 2009-02-26 WO disclosed