SCHEMBL7079800

SCHEMBL7079800

O=C(Nc1cnc(NCCc2ccccn2)c(Cl)c1)c1cc(C(F)(F)F)ccc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SORT1 Q99523 2/20 0.44
SMO Q99835 1/20 0.43
NR3C1 P04150 2/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JUN P05412 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL6788160 0.91 SMO (0.53) ALDH1A1LMNANPSR1MEN1MAPT
SCHEMBL7083387 0.87 SMO (0.49) ALDH1A1LMNANPSR1MEN1MAPT
SCHEMBL6492656 0.81 SMO (0.53) HPGDSMONR3C1SMN1; SMN2
SCHEMBL6795580 0.81 SMO (0.53) ALDH1A1LMNANPSR1MEN1MAPT
SCHEMBL6639807 0.81 SMO (0.49) ALDH1A1LMNANPSR1MEN1MAPT
SCHEMBL7084308 0.81 SMO (0.49) ALDH1A1LMNANPSR1MEN1MAPT
SCHEMBL7083654 0.80 SORT1 (0.45) ALDH1A1LMNANPSR1MEN1MAPT
SCHEMBL6491719 0.79 SMO (0.53) MEN1MAPTHTTKMT2AL3MBTL1
SCHEMBL7086871 0.79 HTR2C (0.49) SORT1SMOLRRK2
SCHEMBL7085345 0.78 CNR1 (0.55) ALDH1A1LMNANPSR1MEN1MAPT

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
EP-1326835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-16 EP disclosed
WO-2002028835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-11 WO disclosed