SCHEMBL6629295

SCHEMBL6629295

Cc1ccccc1NC(=O)On1ccnc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
ALDH1A1 P00352 5/20 0.43
HPGD P15428 4/20 0.43
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 5/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL6627826 0.78 KMT2A (0.48) TP53NPC1RAB9AALDH1A1MAPT
SCHEMBL1720197 0.69 NPC1 (0.67) NPC1RAB9AALDH1A1HPGDMAPT
SCHEMBL6630894 0.69 NPC1 (0.42) NPC1RAB9AALDH1A1HPGDMAPT
SCHEMBL6631510 0.68 CYP1A2 (0.44) NPC1RAB9AALDH1A1HPGDMAPT
SCHEMBL4403976 0.68 ITGB1 (0.55) NPC1RAB9AALDH1A1HPGDMAPT
SCHEMBL15165521 0.68 TP53 (0.59) TP53NPC1RAB9AALDH1A1HPGD
SCHEMBL2096115 0.67 NPC1 (0.62) NPC1RAB9AALDH1A1HPGDMAPT
SCHEMBL13506261 0.67 HPGD (0.51) TP53NPC1RAB9AALDH1A1HPGD
SCHEMBL27714667 0.66 KMT2A (0.57) NPC1RAB9AALDH1A1HPGDMAPT
SCHEMBL6677140 0.66 HPGD (0.47) NPC1RAB9AALDH1A1HPGDMAPT

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-1458374-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
WO-2003051841-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 WO disclosed