SCHEMBL7080609

SCHEMBL7080609

CNc1nc(CCNc2ccc(NC(=O)c3cc(C)ccc3-c3ccccc3)cc2)cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 3/20 0.41
ALDH1A1 P00352 2/20 0.39
CTPS1 P17812 1/20 0.39
MAPT P10636 2/20 0.39
CNR1 P21554 1/20 0.39
HTT P42858 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
CTNNB1 P35222 1/20 0.39
TCF7L2 Q9NQB0 1/20 0.39

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
SCHEMBL6795589 0.89 ALDH1A1 (0.45) CYP3A4NPC1RAB9APOLBMEN1
SCHEMBL6502168 0.84 NPC1 (0.51) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL6501075 0.82 RAB9A (0.43) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL7084303 0.82 NPC1 (0.44) CYP3A4NPC1RAB9APOLBL3MBTL1
SCHEMBL6489781 0.81 L3MBTL1 (0.47) CYP3A4POLBMEN1KMT2AL3MBTL1
SCHEMBL6789124 0.81 TP53 (0.50) TP53MAPTHTTLMNA
SCHEMBL6492508 0.81 SMN1; SMN2 (0.52) CYP3A4NPC1RAB9AMEN1KMT2A
SCHEMBL6499843 0.81 SMN1; SMN2 (0.47) NPC1RAB9APOLBMEN1KMT2A
Hydrochloric Acid SCHEMBL7079728 0.80 SMN1; SMN2 (0.51) CYP3A4NPC1RAB9AMEN1KMT2A
SCHEMBL6669283 0.80 MAPT (0.43) NPC1RAB9APOLBL3MBTL1TP53

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