SCHEMBL5548485

SCHEMBL5548485

O=C(NC1N=CC2=CN(S(=O)(=O)c3ccccc3C(F)(F)F)CCC2=N1)c1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.36
RAB9A P51151 2/20 0.35
SFRP1 Q8N474 1/20 0.35
MAPT P10636 1/20 0.34
GAA P10253 1/20 0.34
MGLL Q99685 1/20 0.34
RORC P51449 1/20 0.34
DCTPP1 Q9H773 1/20 0.34
CCR1 P32246 1/20 0.34
CNR1 P21554 1/20 0.34
BCAT1 P54687 2/20 0.33
HCRTR1 O43613 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33

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
SCHEMBL5546872 0.93 KMT2A (0.37) KMT2AMEN1RAB9ASFRP1MAPT
SCHEMBL5540365 0.79 KMT2A (0.36) KMT2AMEN1RAB9AMAPTGAA
SCHEMBL5546833 0.78 FLT1 (0.42) KMT2AMEN1MAPT
SCHEMBL5548490 0.75 MAPT (0.39) KMT2AMEN1RAB9ASFRP1MAPT
SCHEMBL5540977 0.73 DRD4 (0.46) KMT2AMEN1RAB9AMGLLCCR1
SCHEMBL5540282 0.73 MCHR1 (0.42) RAB9A
SCHEMBL5546932 0.71 TDP1 (0.36) KMT2AMEN1MAPT
SCHEMBL5540250 0.70 LMNA (0.39) KMT2AMEN1RAB9AMAPT
SCHEMBL5544973 0.69 GAA (0.32) KMT2AMEN1GAA
SCHEMBL5546899 0.69 ALDH1A1 (0.48) KMT2AMEN1MAPTGAA

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