SCHEMBL7079619

SCHEMBL7079619

Nc1ccc(NC(=O)OCCc2ccccn2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.70
RAB9A P51151 6/20 0.70
MEN1 O00255 1/20 0.70
KMT2A Q03164 1/20 0.70
SMN1; SMN2 Q16637 5/20 0.59
LMNA P02545 2/20 0.59
RECQL P46063 2/20 0.52
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
TSHR P16473 1/20 0.49
MAPT P10636 1/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
CNR1 P21554 1/20 0.47
MCL1 Q07820 1/20 0.46
CA5A P35218 1/20 0.44

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
SCHEMBL8282497 0.77 NPC1 (0.57) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL6491441 0.76 CA1 (0.71) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL9053388 0.75 NPC1 (0.56) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL1281463 0.75 CA12 (0.59) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL7602756 0.75 NPC1 (0.52) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL8211405 0.75 NPC1 (1.00) NPC1RAB9AMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL7603533 0.74 CA12 (0.58) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL22700779 0.74 RAB9A (0.50) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL764568 0.74 SMN1; SMN2 (0.53) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL27572428 0.74 NPC1 (0.54) NPC1RAB9AMEN1KMT2ASMN1; 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 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