SCHEMBL4594462

SCHEMBL4594462

CCOC(=O)c1cc2sc(N(Cc3cc(OCC)c(-n4cccc4)c(OCC)c3)C3CCNCC3)nc2cc1N(Cc1cc(OCC)c(-n2cccc2)c(OCC)c1)C1CCNCC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 2/20 0.34
HRH1 P35367 1/20 0.34
DHFR P00374 1/20 0.31
MAPK1 P28482 2/20 0.31
USP2 O75604 1/20 0.31
GAA P10253 1/20 0.31
PDE5A O76074 1/20 0.31
TP53 P04637 2/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
PLAT P00750 1/20 0.31
ABL1 P00519 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL4594393 0.89 SSTR5 (0.32) SSTR5PDE5ATP53MAPTLMNA
SCHEMBL4594733 0.89 TP53 (0.34) SSTR5PDE5ATP53MAPTLMNA
SCHEMBL4593975 0.87 PCSK9 (0.40) MAPK1USP2GAATP53MAPT
SCHEMBL4594240 0.84 SSTR5 (0.36) SSTR5MAPTLMNAABL1HPGD
SCHEMBL4593786 0.83 SSTR5 (0.35) SSTR5HRH1DHFRMAPK1USP2
SCHEMBL4593554 0.83 SSTR5 (0.36) SSTR5HRH1DHFRMAPK1USP2
SCHEMBL4593978 0.83 MAPT (0.39) SSTR5HRH1MAPK1TP53MAPT
SCHEMBL4594897 0.81 HTR2A (0.34) PLAT
SCHEMBL4593662 0.76 NPC1 (0.42) USP2GAATP53MAPTHPGD
SCHEMBL4594195 0.76 NPC1 (0.44) SSTR5USP2GAATP53MAPT

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-1924579-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025897-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed