SCHEMBL4594246

SCHEMBL4594246

CCOC(=O)c1ccc2nc(N(Cc3cc(OCC)c(-c4ccc(F)cc4)c(OCC)c3)C3CCNCC3)sc2c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
ALPL P05186 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
SSTR5 P35346 12/20 0.40
KCNH2 Q12809 3/20 0.39
SSTR1 P30872 1/20 0.39
MAPK14 Q16539 1/20 0.39
STAT1 P42224 1/20 0.39
PCSK9 Q8NBP7 1/20 0.38
KDM4E B2RXH2 2/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ABL1 P00519 1/20 0.37

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
SCHEMBL4593325 0.93 SSTR5 (0.46) SSTR5KCNH2SSTR1
SCHEMBL4594195 0.91 NPC1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4594240 0.88 SSTR5 (0.36) MAPTHPGDSSTR5KCNH2SSTR1
SCHEMBL4593776 0.88 SSTR5 (0.40) SSTR5KCNH2SSTR1
SCHEMBL4593662 0.88 NPC1 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4594371 0.87 SSTR5 (0.46) SSTR5KCNH2SSTR1
SCHEMBL4593975 0.84 PCSK9 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4593609 0.83 SSTR5 (0.45) NPC1RAB9ASMN1; SMN2MAPTSSTR5
SCHEMBL4594509 0.80 NPC1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4594269 0.80 SSTR5 (0.43) NPC1RAB9ASMN1; SMN2MAPTSSTR5

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