SCHEMBL9012267

SCHEMBL9012267

[O-][S+](c1nccn1-c1ccccn1)C(NC1CCCCC1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
LMNA P02545 1/20 0.38
ALDH1A1 P00352 5/20 0.37
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EPHX2 P34913 1/20 0.34
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 2/20 0.33
ACKR3 P25106 2/20 0.33
HSD17B10 Q99714 1/20 0.32
ADRB2 P07550 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP17A1 P05093 1/20 0.31
C3AR1 Q16581 1/20 0.31

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
SCHEMBL9012047 0.71 KDM4E (0.34) KDM4EALDH1A1HTTNPSR1TSHR
SCHEMBL9012258 0.71 KDM4E (0.38) KDM4ELMNAALDH1A1GAAL3MBTL1
SCHEMBL9012001 0.70 ALDH1A1 (0.37) KDM4EALDH1A1NPSR1TSHRHSD17B10
SCHEMBL9802855 0.69 KDM4E (0.33) KDM4EALDH1A1TSHRADRB2
SCHEMBL9802864 0.62 KDM4E (0.33) KDM4ENPSR1TSHR
SCHEMBL8011434 0.60 KCNA5 (0.46) KDM4EALDH1A1GAAL3MBTL1EPHX2
SCHEMBL4486176 0.59 GAA (0.63) KDM4ELMNAGAAL3MBTL1CNR1
SCHEMBL16180045 0.59 GAA (0.63) KDM4ELMNAGAAL3MBTL1CNR1
SCHEMBL14848196 0.59 GAA (0.63) KDM4ELMNAGAAL3MBTL1CNR1
SCHEMBL9666016 0.58 PTK2 (0.39) KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5523317-A ADMINISTERING IMIDAZOLE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 1996-06-04 US disclosed
EP-0633026-A1 Use of imidazole derivative for antihypertensive agent NIPPON CHEMIPHAR CO., LTD. (JP) 1995-01-11 EP disclosed