SCHEMBL4397950

SCHEMBL4397950

O=C1OCc2ccccc2N1CC1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HTR6 P50406 4/20 0.46
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 2/20 0.40
HTT P42858 1/20 0.40
KCNA3 P22001 1/20 0.40
RORC P51449 1/20 0.40

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
SCHEMBL3144297 0.84 HTR6 (0.65) KMT2AMEN1ALDH1A1HTR6
SCHEMBL5430834 0.78 DHCR7 (0.48) KMT2AALDH1A1HTR6KDM4E
SCHEMBL3152556 0.76 HTR6 (0.56) KMT2AMEN1ALDH1A1HTR6
SCHEMBL3143063 0.75 HTR6 (0.64) HTR6
SCHEMBL4394633 0.74 MCOLN3 (0.43) ALDH1A1HTR6LMNASMN1; SMN2MAPT
SCHEMBL13809475 0.73 HTR6 (0.52) KMT2AMEN1ALDH1A1HTR6
SCHEMBL3148297 0.73 HTR6 (0.66) KMT2AMEN1ALDH1A1HTR6LMNA
SCHEMBL3155757 0.73 HTR6 (0.55) KMT2AMEN1ALDH1A1HTR6MAPT
SCHEMBL3142983 0.73 HTR6 (0.51) KMT2AMEN1ALDH1A1HTR6
SCHEMBL3143802 0.72 HTR6 (0.63) HTR6

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-1648886-B1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS ESTEVE LABOR DR (ES) 2009-12-09 EP claimed