SCHEMBL5809442

SCHEMBL5809442

O=C(N/N=C/Cc1ccc(O)c(O)c1O)c1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 7/20 0.50
NPC1 O15118 6/20 0.50
RAB9A P51151 4/20 0.50
HTT P42858 2/20 0.50
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
KDM4E B2RXH2 5/20 0.49
MAPT P10636 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
MITF O75030 2/20 0.49
ASF1A Q9Y294 1/20 0.49
GPR174 Q9BXC1 1/20 0.49
PAX8 Q06710 1/20 0.47
MPO P05164 1/20 0.46
GAA P10253 1/20 0.46
NT5E P21589 1/20 0.46
ALDH1A1 P00352 1/20 0.46
USP2 O75604 1/20 0.45
MCOLN3 Q8TDD5 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL5809458 1.00 L3MBTL1 (0.50) L3MBTL1NPC1RAB9AHTTMEN1
SCHEMBL5809953 0.83 NPC1 (0.50) L3MBTL1NPC1RAB9AHTTMEN1
SCHEMBL5809674 0.83 NPC1 (0.50) L3MBTL1NPC1RAB9AHTTMEN1
SCHEMBL5809769 0.83 NPC1 (0.61) L3MBTL1NPC1RAB9AHTTMEN1
SCHEMBL5809224 0.78 NPC1 (0.59) L3MBTL1NPC1RAB9AHTTMEN1
SCHEMBL13863947 0.77 MAPT (0.71) L3MBTL1NPC1RAB9AHTTMEN1
SCHEMBL2987972 0.75 MAPT (0.59) L3MBTL1NPC1RAB9AHTTMEN1
SCHEMBL3000250 0.74 L3MBTL1 (0.57) L3MBTL1NPC1RAB9AHTTMEN1
SCHEMBL3000252 0.74 L3MBTL1 (0.57) L3MBTL1NPC1RAB9AHTTMEN1
SCHEMBL2989526 0.72 ASF1A (0.60) L3MBTL1NPC1RAB9AHTTMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006136008-A1 SALICYLIC ACID HYDRAZONES AS INHIBITORS OF THE ERK MAPKINASE PATHWAY AND FOR THE TREATMENT OF CANCER UNIVERSITY HEALTH NETWORK (CA) 2006-12-28 WO claimed