SCHEMBL4697135

SCHEMBL4697135

CC(C)(C)OC(=O)N1CCNCC1Cc1ccc2oc(-c3cccc([N+](=O)[O-])c3)nc2n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 1/20 0.39
PARP1 P09874 1/20 0.39
MAPT P10636 5/20 0.37
TP53 P04637 2/20 0.37
PPARG P37231 2/20 0.36
GPR119 Q8TDV5 4/20 0.36
RAB9A P51151 3/20 0.36
ELANE P08246 1/20 0.36
NPC1 O15118 2/20 0.35
PTGS2 P35354 1/20 0.34
LMNA P02545 1/20 0.34
CASP3 P42574 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 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
SCHEMBL221302 0.81 KMT2A (0.42) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL31220653 0.71 RXFP1 (0.45) MAPTTP53RAB9ANPC1
SCHEMBL221181 0.69 RAB9A (0.51) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL4319319 0.68 PARP1 (0.52) PARP1GPR119
SCHEMBL219507 0.68 GPR119 (0.43) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL27770701 0.67 PARP1 (0.52) PARP1GPR119
SCHEMBL4788535 0.67 GPR119 (0.39) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL30110406 0.67 PARP1 (0.47) SMN1; SMN2MEN1KMT2AALDH1A1PARP1
SCHEMBL5043442 0.66 GPR119 (0.43) GPR119
SCHEMBL873458 0.66 PARP1 (0.54) PARP1SLC6A2SLC6A4SLC6A3

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-1910385-A1 BENZOTHIAZOLES AND THIAZOLOPYRIDINES AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2008-04-16 EP disclosed
WO-2007019346-A1 BENZOTHIAZOLES AND THIAZOLOPYRIDINES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed