SCHEMBL5540316

SCHEMBL5540316

O=C(NC1=NCC2=CN(S(=O)(=O)c3cccs3)CCC2=N1)c1ccc(F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
POLB P06746 3/20 0.39
RORC P51449 1/20 0.37
NPC1 O15118 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 1/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
SLC6A9 P48067 1/20 0.33
TP53 P04637 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
SCHEMBL5540308 0.75 DRD2 (0.36) MAPTPOLBRORCNPC1SMN1; SMN2
SCHEMBL5540355 0.74 CA1 (0.39) MAPTPOLBNPC1LMNAALDH1A1
SCHEMBL5540828 0.73 MAPT (0.44) MAPTRORCLMNAALDH1A1
SCHEMBL5546893 0.72 MAPT (0.40) MAPTRORCNPC1SMN1; SMN2LMNA
SCHEMBL5540254 0.69 RAB9A (0.37) MAPTPOLBSMN1; SMN2LMNAALDH1A1
SCHEMBL3531915 0.67 MAPK1 (0.44) MAPTPOLBRORCSMN1; SMN2LMNA
SCHEMBL5545044 0.66 ALDH1A1 (0.44) MAPTPOLBSMN1; SMN2LMNAALDH1A1
SCHEMBL5544949 0.66 ALDH1A1 (0.36) RORCNPC1SMN1; SMN2KCNQ3KCNQ2
SCHEMBL5538068 0.65 MAPT (0.39) MAPTNPC1RAB9A
SCHEMBL5548146 0.63 MAPT (0.48) MAPTPOLBSMN1; SMN2LMNAALDH1A1

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