SCHEMBL28752149

SCHEMBL28752149

Nc1cccc(C(=O)NCc2ccc(NC(=O)c3cc(C(F)(F)F)ccc3-c3ccccc3)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.48
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
CNR2 P34972 1/20 0.43
AURKA O14965 2/20 0.43
AURKB Q96GD4 2/20 0.43
MTTP P55157 3/20 0.43
APOB P04114 1/20 0.43
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PTGS1 P23219 1/20 0.42
SORT1 Q99523 1/20 0.42
TACR1 P25103 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
HPGD P15428 1/20 0.41
GCGR P47871 1/20 0.41
PPARG P37231 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
SCHEMBL6799904 0.89 MTTP (0.50) PDE2AAURKAAURKBMTTPAPOB
SCHEMBL27583427 0.87 PDE2A (0.46) PDE2ACA12CA1CA2CA9
SCHEMBL7083522 0.83 RXFP1 (0.45) PDE2ACA12CA1CA2CA9
SCHEMBL7084075 0.82 CA12 (0.43) CA12CA1CA2CA9MTTP
SCHEMBL7086952 0.81 PLG (0.53) CA12CA1CA2CA9MTTP
SCHEMBL7083682 0.81 CA12 (0.45) CA12CA1CA2CA9APOB
SCHEMBL7079790 0.80 S1PR1 (0.51) MTTPAPOBITGB1ITGA4RXFP1
SCHEMBL28752147 0.79 PDE2A (0.45) PDE2ACA1CA2CNR2TACR1
SCHEMBL7081600 0.78 SORT1 (0.53) PDE2AMTTPAPOBRXFP1SORT1
SCHEMBL6792746 0.78 PTGS1 (0.57) CA12CA1CA2CA9MTTP

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
CN-1478077-A Benzamide compounds as APO B secretion inhibitors ����ҩƷ��ҵ��ʽ���� 2004-02-25 CN disclosed