SCHEMBL5546899

SCHEMBL5546899

COc1ccc(S(=O)(=O)N2C=C3C=NC(NC(=O)c4ccc(F)cc4)N=C3CC2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 3/20 0.37
GAA P10253 3/20 0.37
EPHX2 P34913 1/20 0.37
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL5548484 0.89 KMT2A (0.54) ALDH1A1KMT2AKDM4EHSD17B10MEN1
SCHEMBL5540250 0.78 LMNA (0.39) KMT2AMEN1SMN1; SMN2POLBMAPT
SCHEMBL5546901 0.75 ALDH1A1 (0.51) ALDH1A1KMT2AKDM4EHSD17B10PKM
SCHEMBL5545055 0.74 ALDH1A1 (0.43) ALDH1A1KMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL5540347 0.74 CCKAR (0.39) ALDH1A1KMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL5544973 0.74 GAA (0.32) ALDH1A1KMT2AMEN1POLBGAA
SCHEMBL5546851 0.72 KMT2A (0.39) KMT2AMEN1MAPTL3MBTL1
SCHEMBL5546890 0.71 KMT2A (0.43) KMT2AKDM4EMEN1SMN1; SMN2TP53
SCHEMBL5540364 0.70 CPT2 (0.39) KMT2AMEN1SMN1; SMN2MAPK1GAA
SCHEMBL5546197 0.69 NOD2 (0.39) ALDH1A1KMT2AMEN1SMN1; SMN2TP53

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