SCHEMBL4594393

SCHEMBL4594393

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

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 3/20 0.32
KCNH2 Q12809 2/20 0.32
TP53 P04637 1/20 0.31
PLAT P00750 1/20 0.31
NMT2 O60551 1/20 0.31
NMT1 P30419 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
TACR1 P25103 1/20 0.31
ALDH1A1 P00352 1/20 0.30
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 2/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
SLC2A1 P11166 1/20 0.30
PDE5A O76074 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
SCHEMBL4594733 0.92 TP53 (0.34) SSTR5KCNH2TP53PLATNMT2
SCHEMBL4594240 0.90 SSTR5 (0.36) SSTR5KCNH2LMNAMAPT
SCHEMBL4594462 0.89 SSTR5 (0.34) SSTR5TP53PLATALDH1A1LMNA
SCHEMBL4594195 0.86 NPC1 (0.44) SSTR5TP53ALDH1A1MAPT
SCHEMBL4594897 0.84 HTR2A (0.34) KCNH2PLATNMT2NMT1SLC6A2
SCHEMBL4593609 0.81 SSTR5 (0.45) SSTR5KCNH2TP53LMNAMAPT
SCHEMBL4593662 0.78 NPC1 (0.42) TP53ALDH1A1MAPT
SCHEMBL4594246 0.78 NPC1 (0.44) SSTR5KCNH2TP53ALDH1A1MAPT
SCHEMBL4593433 0.77 SSTR5 (0.37) SSTR5KCNH2ALDH1A1SLC6A2SLC6A4
SCHEMBL4593975 0.75 PCSK9 (0.40) TP53ALDH1A1MAPT

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