SCHEMBL7532980

SCHEMBL7532980

O=C(O)c1c(Cl)ccc(OCCN2CCCC2)c1Cl

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
POLB P06746 1/20 0.54
TSHR P16473 1/20 0.52
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 2/20 0.51
GAA P10253 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
LTA4H P09960 1/20 0.50
MEN1 O00255 1/20 0.49
DRD2 P14416 1/20 0.49
DRD1 P21728 1/20 0.49
DRD3 P35462 1/20 0.49
ELANE P08246 2/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL7421848 0.99 KDM4E (0.53) KDM4EPOLBTSHRALDH1A1KMT2A
Hydrochloric Acid SCHEMBL9082014 0.99 KDM4E (0.53) KDM4EPOLBTSHRALDH1A1KMT2A
SCHEMBL7288793 0.88 ALDH1A1 (0.61) KDM4EPOLBTSHRALDH1A1KMT2A
Hydrochloric Acid SCHEMBL7422558 0.88 KDM4E (0.53) KDM4EPOLBTSHRALDH1A1KMT2A
SCHEMBL7414653 0.87 ALDH1A1 (0.60) KDM4EPOLBTSHRALDH1A1KMT2A
SCHEMBL7421845 0.87 TSHR (0.50) KDM4EPOLBTSHRALDH1A1KMT2A
SCHEMBL7425021 0.86 KMT2A (0.54) KDM4EPOLBTSHRALDH1A1KMT2A
Hydrochloric Acid SCHEMBL7425016 0.85 KMT2A (0.53) KDM4EPOLBTSHRALDH1A1KMT2A
SCHEMBL7310904 0.78 TSHR (0.55) KDM4EPOLBTSHRALDH1A1KMT2A
Hydrochloric Acid SCHEMBL7304834 0.77 KDM4E (0.47) KDM4EPOLBTSHRALDH1A1SMN1; SMN2

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
EP-0801648-A4 SUBSTITUTED 2-ARYLCARBONYLOXYMETHYL-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE DERIVATIVES AND COMPOSITIONS AND METHOD OF USE THEREOF SANOFI WINTHROP INC (US) 1998-01-28 EP disclosed
EP-0801648-A1 SUBSTITUTED 2-ARYLCARBONYLOXYMETHYL-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE DERIVATIVES AND COMPOSITIONS AND METHOD OF USE THEREOF SANOFI WINTHROP, INC. (US) 1997-10-22 EP disclosed
WO-1996016951-A1 SUBSTITUTED 2-ARYLCARBONYLOXYMETHYL-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE DERIVATIVES AND COMPOSITIONS AND METHOD OF USE THEREOF SANOFI WINTHROP, INC. (US) 1996-06-06 WO disclosed