SCHEMBL4201167

SCHEMBL4201167

O=Cc1ccc2ncnc(-c3cccs3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.40
RPS6KB2 Q9UBS0 6/20 0.39
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
RIPK2 O43353 1/20 0.37
RIPK3 Q9Y572 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
STK17B O94768 1/20 0.36
LMNA P02545 1/20 0.36
DPP4 P27487 1/20 0.35
ADORA2A P29274 1/20 0.35
IP6K1 Q92551 1/20 0.35
ADORA1 P30542 1/20 0.35
SRPK1 Q96SB4 1/20 0.34

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
SCHEMBL4205381 0.86 RPS6KB2 (0.39) ERN1RPS6KB2PDE3BPDE3ARIPK2
SCHEMBL4347432 0.79 PIM1 (0.53) NPC1
SCHEMBL4194056 0.79 PIM1 (0.53) NPC1
SCHEMBL4194057 0.79 PIM1 (0.53) NPC1
SCHEMBL3847485 0.78 SMN1; SMN2 (0.54) RPS6KB2RIPK2RIPK3KDM4EMEN1
SCHEMBL4191687 0.78 TOP2A (0.43) ERN1KDM4EMEN1NPC1ALDH1A1
SCHEMBL2882073 0.77 ADORA2A (0.57) KDM4EMEN1NPC1ALDH1A1POLB
SCHEMBL4199482 0.76 RIPK2 (0.39) RIPK2RIPK3KDM4EMEN1NPC1
SCHEMBL14843470 0.76 ADORA2A (0.57) RPS6KB2PDE3BPDE3AKDM4EMEN1
SCHEMBL4194980 0.75 ERN1 (0.38) ERN1KDM4EMEN1NPC1ALDH1A1

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