SCHEMBL5545010

SCHEMBL5545010

CCOc1ccccc1C(=O)NC1=NCC2=CN(C(=O)c3sccc3Cl)CCC2=N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
LMNA P02545 4/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPK1 P28482 3/20 0.44
ALOX15 P16050 2/20 0.44
POLB P06746 1/20 0.39
TP53 P04637 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 3/20 0.37
ALDH1A1 P00352 3/20 0.37
USP2 O75604 2/20 0.37
TSHR P16473 2/20 0.37
KCNMA1 Q12791 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL5546883 0.81 KDM4E (0.40) MAPTLMNAHTTL3MBTL1MAPK1
SCHEMBL5540338 0.80 MEN1 (0.40) MAPTLMNAL3MBTL1MAPK1ALOX15
SCHEMBL5545006 0.77 MAPT (0.40) MAPTLMNAHTTL3MBTL1MAPK1
SCHEMBL3532057 0.70 LMNA (0.44) MAPTLMNAHTTL3MBTL1MAPK1
SCHEMBL5545032 0.69 PTGES (0.39) LMNATP53GAA
SCHEMBL5538068 0.64 MAPT (0.39) MAPTKMT2AKDM4EKCNMA1NPC1
SCHEMBL16363830 0.63 MAPK1 (1.00) MAPTLMNAHTTL3MBTL1MAPK1
SCHEMBL5546600 0.63 KMT2A (0.40) MAPTLMNAHTTMAPK1TP53
SCHEMBL5538007 0.62 PTGES (0.39) LMNATP53GAARXFP1
SCHEMBL5543044 0.61 MGLL (0.38) HTTMEN1KMT2ASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007534719-A 2007-11-29 JP claimed
EP-1742925-A1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS Grünenthal GmbH (DE) 2007-01-17 EP claimed
WO-2005105759-A1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS Grünenthal GmbH (DE) 2005-11-10 WO claimed