SCHEMBL7084075

SCHEMBL7084075

Nc1cccc(CCCc2ccc(NC(=O)c3cc(C(F)(F)F)ccc3-c3ccccc3)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
PTGS1 P23219 2/20 0.42
RXFP1 Q9HBX9 2/20 0.41
MCHR1 Q99705 1/20 0.40
LRRK2 Q5S007 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
IL2 P60568 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL7083682 0.90 CA12 (0.45) CA12CA1CA2CA9PTGS1
SCHEMBL6792554 0.89 PTGS1 (0.48) PTGS1MAPTLMNAALDH1A1KDM4E
SCHEMBL7079740 0.88 SORT1 (0.43) CA12CA1CA2CA9ITGB1
SCHEMBL7084151 0.87 CA12 (0.43) CA12CA1CA2CA9PTGS1
SCHEMBL7087226 0.86 SMO (0.49) RXFP1LRRK2MAPTLMNAHTT
SCHEMBL7084422 0.86 ITGB1 (0.44) CA12CA1CA2CA9ITGB1
SCHEMBL6491523 0.83 KIT (0.42) PTGS1MCHR1TRPV1APOBMTTP
SCHEMBL6799624 0.83 PTGS1 (0.50) PTGS1ALDH1A1TRPV1APOBMTTP
SCHEMBL28752149 0.82 PDE2A (0.48) CA12CA1CA2CA9ITGB1
SCHEMBL7083646 0.82 GAA (0.49) LRRK2MAPT

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