SCHEMBL6202021

SCHEMBL6202021

Cc1ccc(C(C)C)c2oc(-c3c[nH]nc3-c3cccc(NC(=O)[C@@H]4CCCC[C@@H]4C(=O)C4=CC=CCC4=S)c3)nc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.33
USP2 O75604 3/20 0.33
HSD17B10 Q99714 3/20 0.33
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 3/20 0.32
ALOX5AP P20292 2/20 0.32
ALOX5 P09917 1/20 0.32
FEN1 P39748 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 3/20 0.31
GAA P10253 1/20 0.31
APEX1 P27695 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL6083842 0.86 MAPT (0.36) HPGDUSP2HSD17B10POLBSMN1; SMN2
SCHEMBL6083851 0.86 MAPT (0.36) HPGDUSP2HSD17B10POLBSMN1; SMN2
SCHEMBL6086423 0.85 TSHR (0.46) HPGDUSP2HSD17B10POLBSMN1; SMN2
SCHEMBL6086056 0.84 POLB (0.44) HPGDUSP2HSD17B10POLBSMN1; SMN2
SCHEMBL6085763 0.81 TP53 (0.37) HPGDUSP2HSD17B10POLBSMN1; SMN2
SCHEMBL6085797 0.80 NPC1 (0.42) HPGDUSP2POLBSMN1; SMN2TSHR
SCHEMBL6084819 0.79 ALDH1A1 (0.44) HPGDHSD17B10POLBSMN1; SMN2TSHR
SCHEMBL6202643 0.77 RAB9A (0.44) HPGDUSP2HSD17B10POLBSMN1; SMN2
SCHEMBL6084903 0.77 MEN1 (0.44) HPGDUSP2HSD17B10POLBSMN1; SMN2
SCHEMBL6085149 0.75 MAOB (0.49) POLBSMN1; SMN2ALDH1A1KMT2ANPC1

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
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed