SCHEMBL6233245

SCHEMBL6233245

COc1ccc(C(N)=O)cc1NC(=O)c1csc(C2CCN(C(=O)c3cnn4c(C)nnc(C)c34)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 2/20 0.40
MAP3K7 O43318 2/20 0.36
TP53 P04637 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
PPARG P37231 1/20 0.35
STAT3 P40763 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CCR5 P51681 2/20 0.35
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.34
LCK P06239 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL14433142 0.83 ALDH1A1 (0.47) SPRTP53PPARGSTAT3L3MBTL1
SCHEMBL14432776 0.82 TP53 (0.47) TP53IRAK4L3MBTL1CCR5LMNA
SCHEMBL14432801 0.80 CYP1A2 (0.41) TP53STAT3L3MBTL1CCR5PIM1
SCHEMBL5225488 0.79 TP53 (0.38) SPRTP53IRAK4PPARGSTAT3
SCHEMBL14432861 0.78 TP53 (0.43) SPRTP53IRAK4L3MBTL1CCR5
SCHEMBL5229557 0.77 HPGD (0.46) TP53L3MBTL1LMNACYP1A2MAPT
SCHEMBL5228484 0.76 TP53 (0.44) TP53IRAK4CCR5LMNAMAPT
SCHEMBL14432873 0.76 PPARG (0.41) TP53PPARGSTAT3L3MBTL1CCR5
SCHEMBL14432488 0.76 NAMPT (0.40) IRAK4STAT3L3MBTL1CCR5PIM1
SCHEMBL14432816 0.75 KDM4E (0.50) TP53L3MBTL1LMNAALDH1A1NPSR1

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
EP-1581528-A1 PIPERIDINYL-THIAZOLE CARBOXYLIC ACID DERIVATIVES AS ANGIOGENESIS INHIBITORS Metris Therapeutics Limited (GB) 2005-10-05 EP claimed
WO-2004058750-A1 PIPERIDINYL-THIAZOLE CARBOXYLIC ACID DERIVATIVES AS ANGIOGENESIS INHIBITORS METRIS THERAPEUTICS LIMITED (GB) 2004-07-15 WO claimed