SCHEMBL5544889

SCHEMBL5544889

Cc1cccc(C(=O)NC2N=CC3=CN(S(=O)(=O)c4cccc(C)c4)CCC3=N2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
PABPC1 P11940 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTT P42858 1/20 0.38
EPHX2 P34913 1/20 0.38
KAT6A Q92794 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
SCHEMBL5544896 0.72 MEN1 (0.46) ALDH1A1SMN1; SMN2KMT2AMEN1PABPC1
SCHEMBL11806 0.60 NPC1 (0.85) ALDH1A1KMT2AMEN1L3MBTL1NPC1
SCHEMBL13959947 0.59 NPC1 (0.72) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL2683082 0.58 LMNA (0.60) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL14460307 0.58 RAB9A (0.97) ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL279859 0.58 HTT (0.63) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL23573447 0.57 NPC1 (0.78) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL30804727 0.57 NPC1 (0.68) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL9179058 0.57 KAT6A (0.74) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL23573449 0.57 NPC1 (0.78) ALDH1A1LMNASMN1; SMN2KMT2AMEN1

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