SCHEMBL4716672

SCHEMBL4716672

O=C(COCc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccc2ncccc2c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 2/20 0.44
AGTR1 P30556 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
CHRM4 P08173 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42

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
SCHEMBL4716298 0.87 MCOLN3 (0.54) ALDH1A1KMT2APOLBMAPTAGTR1
SCHEMBL4716394 0.83 CNR1 (0.52) CNR1ALDH1A1KMT2APOLBMAPT
SCHEMBL4715768 0.83 MAPT (0.56) ALDH1A1KMT2APOLBMAPTNPSR1
SCHEMBL4716303 0.82 MEN1 (0.51) ALDH1A1KMT2APOLBMAPTAGTR1
SCHEMBL4716188 0.82 AGTR1 (0.53) ALDH1A1KMT2APOLBMAPTAGTR1
SCHEMBL4713091 0.82 ALDH1A1 (0.54) ALDH1A1KMT2APOLBL3MBTL1NPC1
SCHEMBL4716103 0.81 MEN1 (0.51) ALDH1A1KMT2AMAPTAGTR1NPSR1
SCHEMBL4717893 0.81 MAPK1 (0.47) ALDH1A1KMT2APOLBMAPTNPSR1
SCHEMBL4716686 0.80 ATM (0.47) MAPT
SCHEMBL4715371 0.79 KMT2A (0.44) CNR1ALDH1A1KMT2APOLBMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615904-B1 SUBSTITUTED BENZOSULPHONAMIDES AS POTENTIATORS OF GLUTAMATE RECEPTORS ASTRAZENECA AB (SE) 2008-02-27 EP claimed