SCHEMBL4185899

SCHEMBL4185899

Cc1cscc1-c1ncnc2ccc(C=O)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 2/20 0.38
RIPK3 Q9Y572 1/20 0.38
GRM2 Q14416 1/20 0.36
KDM4E B2RXH2 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
PTK2B Q14289 1/20 0.36
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
DHFR P00374 1/20 0.33
CYP2A6 P11509 5/20 0.32
CYP2B6 P20813 2/20 0.32
CYP3A4 P08684 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
SCHEMBL4188009 0.81 PIK3CA (0.41) RIPK2RIPK3GRM2KDM4ESMN1; SMN2
SCHEMBL4201155 0.80 PIM1 (0.54) NPC1HPGDRAB9ACSNK2A2CSNK2B
SCHEMBL4201157 0.80 PIM1 (0.54) NPC1HPGDRAB9ACSNK2A2CSNK2B
SCHEMBL13951164 0.80 PIM1 (0.54) NPC1HPGDRAB9ACSNK2A2CSNK2B
SCHEMBL4199482 0.79 RIPK2 (0.39) RIPK2RIPK3KDM4ESMN1; SMN2MEN1
SCHEMBL4194980 0.76 ERN1 (0.38) KDM4ESMN1; SMN2MEN1ALDH1A1POLB
SCHEMBL26315417 0.74 ALDH1A1 (0.48) KDM4ESMN1; SMN2MEN1ALDH1A1POLB
SCHEMBL2882073 0.72 ADORA2A (0.57) KDM4ESMN1; SMN2MEN1ALDH1A1POLB
SCHEMBL4201167 0.70 ERN1 (0.40) RIPK2RIPK3KDM4EMEN1ALDH1A1
SCHEMBL2877598 0.67 MAP4K4 (0.51) IP6K1

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