SCHEMBL5791545

SCHEMBL5791545

CS(=O)(=O)Nc1ccc(OCC(=O)N2CCC(Cc3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.60
GRIN1 Q05586 1/20 0.57
GRIN2B Q13224 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.56
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
POLB P06746 2/20 0.54
ATF4 P18848 1/20 0.53
ADAMTS5 Q9UNA0 1/20 0.53
ALDH1A1 P00352 4/20 0.53
MAPT P10636 3/20 0.53
NPSR1 Q6W5P4 1/20 0.53
LMNA P02545 1/20 0.52
PKM P14618 3/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
GPR183 P32249 1/20 0.47
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL5803633 0.91 SMN1; SMN2 (0.61) SMN1; SMN2GRIN1GRIN2BL3MBTL1KMT2A
SCHEMBL4577513 0.85 CA12 (0.53) GRIN1GRIN2BKMT2AMEN1ALDH1A1
SCHEMBL9444298 0.79 POLB (0.51) L3MBTL1POLBALDH1A1MAPTNPSR1
SCHEMBL20989099 0.79 ATF4 (0.69) SMN1; SMN2GRIN1GRIN2BL3MBTL1KMT2A
SCHEMBL4577835 0.76 FAAH (0.53) GRIN1GRIN2BKMT2AMEN1ALDH1A1
SCHEMBL4591294 0.75 GRIN1 (0.51) GRIN1GRIN2BKMT2AMEN1POLB
SCHEMBL4577312 0.75 SMN1; SMN2 (0.60) SMN1; SMN2GRIN1GRIN2BKMT2AMEN1
SCHEMBL4591719 0.75 MEN1 (0.55) SMN1; SMN2L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL4771631 0.75 GPR119 (0.59)
SCHEMBL19692508 0.73 ATF4 (0.70) SMN1; SMN2L3MBTL1KMT2AMEN1POLB

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
WO-2006010968-A1 NEW ARYLOXY ACETIC ACID AMIDE DERIVATIVES Richter Gedeon Vegyészeti Gyár Rt. (HU) 2006-02-02 WO claimed