SCHEMBL5540828

SCHEMBL5540828

Cc1ccc(S(=O)(=O)N2C=C3CN=C(NC(=O)c4cccc(F)c4)N=C3CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
LMNA P02545 2/20 0.44
RORC P51449 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 7/20 0.40
MEN1 O00255 5/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
THRB P10828 1/20 0.39
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39

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
SCHEMBL5544896 0.85 MEN1 (0.46) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL5546854 0.85 CYP2C19 (0.40) MAPTLMNARORCKDM4ENPSR1
SCHEMBL5548489 0.80 TUBB4A (0.50) MAPTLMNAKDM4EKMT2AMEN1
SCHEMBL5546835 0.78 FLT1 (0.44) MAPTKMT2AMEN1ALDH1A1
SCHEMBL5546901 0.78 ALDH1A1 (0.51) MAPTKDM4EKMT2AALDH1A1
SCHEMBL5546600 0.77 KMT2A (0.40) MAPTLMNARORCKDM4ENPSR1
SCHEMBL5548545 0.77 SIRT2 (0.42) MAPTLMNAKMT2AMEN1THRB
SCHEMBL5546201 0.75 ABL1 (0.40) LMNAKMT2AMEN1
SCHEMBL5545021 0.74 EPHX2 (0.39) KMT2AMEN1ALDH1A1THRB
SCHEMBL5545059 0.73 ALDH1A1 (0.46) LMNAKDM4EKMT2AMEN1ALDH1A1

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