SCHEMBL6629782

SCHEMBL6629782

O=C(Nc1ccccc1)Oc1ccc(C(=O)NCc2ccccn2)cc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.70
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
NPC1 O15118 4/20 0.63
RAB9A P51151 4/20 0.63
LMNA P02545 3/20 0.63
POLB P06746 2/20 0.63
HPGD P15428 2/20 0.62
HSD17B10 Q99714 1/20 0.62
SMN1; SMN2 Q16637 4/20 0.57
ALDH1A1 P00352 2/20 0.57
GAA P10253 1/20 0.57
NAMPT P43490 1/20 0.56
CA2 P00918 1/20 0.55
MDM2 Q00987 1/20 0.53
KDM4E B2RXH2 1/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL21768099 0.83 KMT2A (0.76) MAPK14MEN1KMT2ANPC1RAB9A
SCHEMBL29941957 0.82 MAPK14 (1.00) MAPK14MEN1KMT2ANPC1RAB9A
SCHEMBL166484 0.80 LMNA (0.82) MAPK14MEN1KMT2ANPC1RAB9A
SCHEMBL243238 0.79 SMN1; SMN2 (0.63) MAPK14MEN1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL27843329 0.79 LMNA (0.80) MAPK14MEN1KMT2ANPC1RAB9A
SCHEMBL4893253 0.79 NPC1 (0.71) MAPK14MEN1KMT2ANPC1RAB9A
SCHEMBL5650532 0.78 KMT2A (0.65) MAPK14MEN1KMT2ANPC1RAB9A
SCHEMBL1393086 0.78 LMNA (1.00) MAPK14MEN1KMT2ANPC1RAB9A
SCHEMBL21768049 0.76 LMNA (0.76) MAPK14MEN1KMT2ANPC1RAB9A
SCHEMBL7654965 0.76 KMT2A (0.65) MAPK14MEN1KMT2ANPC1RAB9A

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