SCHEMBL6629558

SCHEMBL6629558

NC(=O)Oc1ccc(C(=O)NCCNc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.51
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
MAPT P10636 3/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
MMP2 P08253 1/20 0.49
CA9 Q16790 1/20 0.49
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
HPGD P15428 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45
GAA P10253 1/20 0.44
ALDH1A1 P00352 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
SCHEMBL3050071 0.82 LMNA (0.62) SMN1; SMN2NPC1RAB9AMAPTHDAC4
SCHEMBL5648430 0.80 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9AMAPTLMNA
SCHEMBL28095336 0.78 HPGD (0.72) SMN1; SMN2NPC1RAB9ACA2HDAC1
SCHEMBL12093592 0.78 LMNA (0.78) SMN1; SMN2NPC1RAB9AMAPTHDAC4
SCHEMBL9407545 0.77 HDAC4 (0.62) NPC1RAB9AHDAC4HDAC1HDAC6
SCHEMBL5843937 0.76 CTSK (0.38) NPC1RAB9ACA12CA1CA2
SCHEMBL6629998 0.74 MLYCD (0.58) SMN1; SMN2NPC1RAB9APOLBKMT2A
SCHEMBL12089971 0.74 RAB9A (0.64) SMN1; SMN2NPC1RAB9AMAPTHDAC4
SCHEMBL12421889 0.74 NPC1 (0.49) SMN1; SMN2NPC1RAB9ACA12CA1
SCHEMBL6629738 0.74 RAB9A (0.69) SMN1; SMN2NPC1RAB9APOLBKMT2A

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