SCHEMBL4698674

SCHEMBL4698674

Nc1cc(CN2CCNCC2)cc(-c2nc3ncccc3o2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.53
RAB9A P51151 7/20 0.50
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 3/20 0.45
TP53 P04637 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALOX12 P18054 1/20 0.45
HAVCR2 Q8TDQ0 1/20 0.45
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL219006 0.79 GPR119 (0.45) NPC1RAB9ASMN1; SMN2HPGDHSD17B10
SCHEMBL2624454 0.78 NPC1 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL221090 0.76 NPC1 (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL2739940 0.74 SIRT1 (0.65) SMN1; SMN2ALDH1A1HPGDHSD17B10TP53
SCHEMBL2740017 0.74 SIRT1 (0.66) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL2760428 0.72 NPC1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL31631307 0.70 NPC1 (1.00) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL221887 0.70 NPC1 (1.00) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL2387340 0.69 LRRK2 (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL11643357 0.69 NPC1 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD

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